SCHEMBL28325916

SCHEMBL28325916

OC1(Cc2ccccc2)C=CC=CN=C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
OPRL1 P41146 2/20 0.30
HSD11B1 P28845 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL28079595 0.68 MAOA (0.38) MAOAMAOBHSD11B1TSHR
SCHEMBL70588 0.63 ALDH1A1 (0.38) MAOAMAOBOPRL1HSD11B1OPRM1
SCHEMBL28199313 0.62 MAOA (0.32) MAOAMAOBTSHR
SCHEMBL27461993 0.62 MAOA (0.36) MAOAMAOBOPRL1HSD11B1OPRM1
SCHEMBL9137089 0.61 HSD11B1 (0.38) MAOAMAOBOPRL1HSD11B1OPRM1
SCHEMBL8994429 0.60 CYP3A4 (0.35) MAOAMAOBHSD11B1TSHR
Hydrochloric Acid SCHEMBL10323375 0.59 MAOA (0.40) MAOAMAOBOPRL1HSD11B1OPRM1
SCHEMBL5509298 0.58 MAOA (0.35) MAOAMAOBOPRL1OPRM1OPRD1
SCHEMBL23343753 0.58 OPRL1 (0.65) MAOAMAOBOPRL1OPRM1OPRD1
SCHEMBL9439377 0.58 MAOA (0.48) MAOAMAOBOPRL1HSD11B1OPRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105916843-B Octahydrocyclopenta [ c ] pyrrole selective NR2B negative regulator 科登特治疗公司 2019-09-20 CN disclosed