SCHEMBL8880176

SCHEMBL8880176

COc1ccn2c1cnc1c(N3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR1A P08908 2/20 0.46
HTR2C P28335 2/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.45
ATM Q13315 1/20 0.45
MAPK1 P28482 1/20 0.44
DRD4 P21917 4/20 0.44
SIGMAR1 Q99720 1/20 0.43
DRD2 P14416 4/20 0.43
DRD3 P35462 3/20 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
SCHEMBL8565075 0.88 DRD4 (0.53) HTR7ALDH1A1KDM4EKMT2AHTR1A
SCHEMBL8565549 0.87 MAPK1 (0.60) ALDH1A1KDM4EKMT2AHTR1AHTR2C
SCHEMBL8564672 0.82 HTR1A (0.53) HTR7HTR1AHTR2CDRD4SIGMAR1
SCHEMBL8570798 0.78 DRD2 (0.50) ALDH1A1KDM4EKMT2AALOX15TSHR
SCHEMBL8566284 0.78 DRD4 (0.54) ALDH1A1HTR1AHTR2CDRD4DRD2
SCHEMBL8571687 0.77 HTR1A (0.49) KDM4EHTR1AHTR2CMAPK1DRD4
SCHEMBL8570291 0.76 SLC2A1 (0.43) ALDH1A1KMT2AHTR1AALOX15MEN1
SCHEMBL8569105 0.74 DRD2 (0.52) HTR1AHTR2CDRD4DRD2DRD3
SCHEMBL8571302 0.74 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2AHTR1AHTR2C
SCHEMBL8567130 0.74 HTR1A (0.52) KDM4EHTR1AHTR2CMAPK1DRD4

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
US-5599812-A ANTISEROTONINE AGENTS ADIR ET COMPAGNIE (FR) 1997-02-04 US disclosed