SCHEMBL133603

SCHEMBL133603

CC[CH]c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHAT P28329 5/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2A6 P11509 1/20 0.44
RXRA P19793 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
CNR1 P21554 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Methylamine SCHEMBL27560497 0.96 GRIN2D (0.44) CHATMTNR1AMTNR1BALDH1A1CYP2A6
SCHEMBL108120 0.85 CHAT (0.43) CHATMTNR1AMTNR1BALDH1A1CYP2A6
SCHEMBL303613 0.82 CHAT (0.48) CHATMTNR1AMTNR1BRXRAKDM4E
SCHEMBL615455 0.81 SMPD2 (0.51) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL615456 0.81 SMPD2 (0.51) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL10675341 0.81 CYP1A2 (0.46) CHATMTNR1AMTNR1BRXRAKDM4E
SCHEMBL304871 0.81 ALDH1A1 (0.44) ALDH1A1CYP2A6KDM4EPTGS1PTGS2
SCHEMBL304242 0.81 CHAT (0.50) CHATMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL5254576 0.80 RXRA (0.43) CHATMTNR1AMTNR1BALDH1A1CYP2A6
SCHEMBL7795350 0.80 RXRA (0.43) CHATMTNR1AMTNR1BALDH1A1CYP2A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2176 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116848094-A Tertiary amine lipid compounds and uses thereof 华南理工大学 2023-10-03 CN claimed
WO-2023125184-A1 TERTIARY AMINE LIPID COMPOUND AND USE THEREOF 华南理工大学 2023-07-06 WO claimed
CN-116120919-A Triplet-triplet annihilation up-conversion luminescent material based on thermal activation and preparation and application thereof 中国科学院理化技术研究所 2023-05-16 CN claimed
US-11530234-B2 CD73 inhibitors and pharmaceutical uses thereof Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-12-20 US claimed
CN-111233786-B Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2021-11-26 CN claimed
EP-3849992-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2021-07-21 EP claimed
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 US claimed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US claimed
US-20210139526-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN (SUZHOU) PHARMA TECH Co.,Ltd. (CN) 2021-05-13 US claimed
CN-112771061-A CD73 inhibitor and pharmaceutical application thereof 润佳(苏州)医药科技有限公司 2021-05-07 CN claimed
US-6287794-B1 Factor Vlla inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-09-11 US claimed
EP-1114061-A1 FACTOR VIIa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2001-07-11 EP claimed
WO-2000015658-A1 FACTOR VIIa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-03-23 WO claimed
EP-0319986-B1 Anti-plasmin depressant NIPPON SHINYAKU CO LTD (JP) 1997-03-12 EP claimed
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US claimed
EP-0338946-B1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1992-07-01 EP claimed
US-4935517-A STABILITY, INTENSITY UNIVERSITE CLAUDE BERNARD (FR) 1990-06-19 US claimed
EP-0372941-A2 Anti-inflammatory 5-hydroxy-2-furanones ALLERGAN, INC (US) 1990-06-13 EP claimed
EP-0338946-A1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1989-10-25 EP claimed
EP-0153261-B1 ESTERS FROM THE FAMILY OF THE N-PHOSPHONOMETHYLGLYCINE AND THEIR USE FOR THE PREPARATION OF KNOWN HERBICIDES RHONE-POULENC AGROCHIMIE (FR) 1989-01-25 EP claimed