SCHEMBL1399533

SCHEMBL1399533

N#CC1CCC(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.48
SIGMAR1 Q99720 1/20 0.48
GRIN2B Q13224 2/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNA3 P22001 1/20 0.41
DRD2 P14416 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL10343084 1.00 SLC18A3 (0.48) SLC18A3SIGMAR1GRIN2BGAAMAPT
SCHEMBL10343264 0.88 NPC1 (0.54) SLC18A3SIGMAR1GRIN2BMAPTCYP2D6
SCHEMBL10343265 0.88 NPC1 (0.54) SLC18A3SIGMAR1GRIN2BMAPTCYP2D6
SCHEMBL10177659 0.88 AKR1C3 (0.47) SLC18A3SIGMAR1GRIN2BGAAMAPT
SCHEMBL7733705 0.84 KDM4E (0.39) SLC18A3SIGMAR1KDM4EALDH1A1
SCHEMBL7733708 0.84 KDM4E (0.39) SLC18A3SIGMAR1KDM4EALDH1A1
SCHEMBL30909 0.83 ESR2 (0.41) GAAMAPTCYP2D6KMT2ASMN1; SMN2
SCHEMBL11027831 0.81 AKR1C3 (0.42) SLC18A3SIGMAR1GRIN2BGAAMAPT
SCHEMBL11031012 0.81 AKR1C3 (0.42) SLC18A3SIGMAR1GRIN2BGAAMAPT
SCHEMBL41763 0.81

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
CN-119768164-A Pharmaceutical compounds for treating complement-mediated disorders 阿雷克森制药公司 2025-04-04 CN disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed
CN-110563631-B IDO inhibiting compound and application thereof 爱斯特(成都)生物制药股份有限公司 2023-05-23 CN disclosed
CN-110563631-A compound for inhibiting IDO and application thereof 爱斯特(成都)生物制药股份有限公司 2019-12-13 CN disclosed
CN-103003266-A Hydroxyalkylbenzylpyrazoles and their use for the treatment of hyperproliferative and angiogenic diseases BAYER IP GMBH 2013-03-27 CN disclosed
CN-102282143-A Heterocyclically substituted aryl compounds and application thereof 2011-12-14 CN disclosed
US-7914707-B2 Additive for non-aqueous electrolyte and secondary battery using the same LG CHEM, LTD. (KR) 2011-03-29 US disclosed
US-7914707-B2 Additive for non-aqueous electrolyte and secondary battery using the same LG CHEM, LTD. (KR) 2011-03-29 US disclosed
US-7914707-B2 Additive for non-aqueous electrolyte and secondary battery using the same LG CHEM, LTD. (KR) 2011-03-29 US disclosed
EP-0259346-B1 R-1-CYAN-1-R2 -CIS-4-R1 -CYCLOHEXANE COMPOUNDS MERCK PATENT GmbH (DE) 1990-04-04 EP disclosed
US-4886620-A Smectic liquid-crystalline phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-12-12 US disclosed
EP-0335579-A2 Photo-recording media and photo-recording method MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-10-04 EP disclosed
EP-0259346-A1 r-1-CYAN-1-R2 -CIS-4-R1 -CYCLOHEXANE COMPOUNDS. MERCK PATENT GMBH (DE) 1988-03-16 EP disclosed
WO-1987005618-A1 r-1-CYAN-1-R2-CIS-4-R1-CYCLOHEXANE COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-09-24 WO disclosed
EP-0233267-A1 SMECTIC CRYSTAL PHASES. MERCK PATENT GMBH (DE) 1987-08-26 EP disclosed
WO-1987001717-A2 SMECTIC CYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-03-26 WO disclosed
EP-0154849-A2 Cyclohexane derivatives MERCK PATENT GmbH (DE) 1985-09-18 EP disclosed
EP-0051768-A1 Liquid crystal indicator device SIEMENS AKTIENGESELLSCHAFT (DE) 1982-05-19 EP disclosed
US-4130502-A Liquid crystalline cyclohexane derivatives MERCK PATENT GESELLSCHAFT MIT (DE) 1978-12-19 US disclosed