SCHEMBL9633303

SCHEMBL9633303

c1ccc2c(c1)CNC2CC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.42
PRCP P42785 2/20 0.42
KDM1A O60341 2/20 0.42
KDM1B Q8NB78 1/20 0.42
SLC22A1 O15245 1/20 0.40
HTR2C P28335 4/20 0.38
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL19031932 0.90 PRCP (0.42) PRCPSLC22A1CYP2D6CYP3A4KDM4E
SCHEMBL24639493 0.75 PRCP (0.42) PRCPSLC22A1CYP2D6CYP3A4KDM4E
SCHEMBL1206939 0.75 PRCP (0.42) PRCPSLC22A1CYP2D6CYP3A4KDM4E
SCHEMBL24639478 0.75 PRCP (0.42) PRCPSLC22A1CYP2D6CYP3A4KDM4E
SCHEMBL30101476 0.75 PRCP (0.42) PRCPSLC22A1CYP2D6CYP3A4KDM4E
Hydrochloric Acid SCHEMBL30531541 0.74 PRCP (0.41) PRCPSLC22A1CYP2D6CYP3A4KDM4E
Hydrochloric Acid SCHEMBL21519256 0.74 PRCP (0.41) PRCPSLC22A1CYP2D6CYP3A4KDM4E
SCHEMBL3111967 0.73 PRCP (0.43) PRCPSLC22A1CYP2D6MEN1CYP3A4
SCHEMBL31062465 0.73 HRH3 (0.41) PRCPSLC22A1HTR2C
SCHEMBL9635463 0.72 HTR6 (0.46) GBA1KDM1AKDM1BHTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5096900-A Antidepressants, anxiolytic agents SYNTHELABO (FR) 1992-03-17 US disclosed
US-5081128-A Antidepressants, anxiolytic agents SYNTHELABO (FR) 1992-01-14 US disclosed