SCHEMBL29032151

SCHEMBL29032151

CC(=O)NCCc1ccc(F)c2ccc(O)cc12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.61
MTNR1B P49286 9/20 0.61
KDM4E B2RXH2 2/20 0.56
NOTUM Q6P988 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
IDO1 P14902 1/20 0.56
HPGD P15428 1/20 0.56
SPR P35270 1/20 0.56
BLM P54132 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
F13A1 P00488 1/20 0.49
TRPV1 Q8NER1 1/20 0.46
NQO2 P16083 3/20 0.43
HTR2B P41595 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
SCHEMBL29032167 0.83 MTNR1A (0.64) MTNR1AMTNR1BKDM4ENOTUMALDH1A1
Urea SCHEMBL29070131 0.80 MTNR1A (0.60) MTNR1AMTNR1BKDM4ENOTUMALDH1A1
Oxalic Acid SCHEMBL29070135 0.80 MTNR1A (0.60) MTNR1AMTNR1BKDM4ENOTUMALDH1A1
SCHEMBL30449792 0.80 MTNR1A (0.54) MTNR1AMTNR1BKDM4ENOTUMALDH1A1
Phosphoric Acid SCHEMBL29070121 0.79 MTNR1A (0.59) MTNR1AMTNR1BKDM4ENOTUMALDH1A1
SCHEMBL29032136 0.78 MTNR1A (0.61) MTNR1AMTNR1BKDM4ENOTUMALDH1A1
SCHEMBL29032155 0.78 MTNR1A (0.69) MTNR1AMTNR1BKDM4ENOTUMALDH1A1
SCHEMBL30448741 0.78 MTNR1A (0.69) MTNR1AMTNR1BKDM4ENOTUMALDH1A1
SCHEMBL29032159 0.78 MTNR1A (0.61) MTNR1AMTNR1BKDM4ENOTUMALDH1A1
SCHEMBL4043404 0.76 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2B

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

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116249691-B Bicyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-04-25 CN disclosed
CN-116478059-A Crystal form, eutectic crystal form and eutectic crystal form of dicyclic derivative regulator and preparation method thereof 上海翰森生物医药科技有限公司 2023-07-25 CN disclosed
CN-116249691-A Bicyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-06-09 CN disclosed