SCHEMBL8709168

SCHEMBL8709168

O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 1.00
DRD4 P21917 17/20 1.00
HTR2A P28223 2/20 0.77
KMT2A Q03164 1/20 0.67
SIGMAR1 Q99720 1/20 0.67
MCHR1 Q99705 1/20 0.66

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
SCHEMBL8706202 0.93 DRD4 (0.87) DRD2DRD4HTR2AKMT2ASIGMAR1
SCHEMBL8707354 0.89 DRD2 (1.00) DRD2DRD4HTR2ASIGMAR1MCHR1
SCHEMBL8706290 0.89 DRD2 (1.00) DRD2DRD4HTR2ASIGMAR1MCHR1
SCHEMBL7694198 0.89 DRD2 (0.85) DRD2DRD4HTR2ASIGMAR1MCHR1
SCHEMBL7694199 0.89 DRD2 (0.85) DRD2DRD4HTR2ASIGMAR1MCHR1
SCHEMBL8705985 0.87 DRD2 (1.00) DRD2DRD4HTR2ASIGMAR1MCHR1
SCHEMBL8706797 0.87 DRD2 (1.00) DRD2DRD4HTR2A
SCHEMBL19496672 0.85 DRD2 (0.77) DRD2DRD4HTR2AMCHR1
SCHEMBL8706273 0.84 DRD2 (0.89) DRD2DRD4HTR2A
SCHEMBL8706523 0.84 DRD2 (1.00) DRD2DRD4HTR2A

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
WO-1998037064-A1 BENZAMIDES HAVING DOPAMINE D4 RECEPTOR AFFINITY HOECHST MARION ROUSSEL, INC. (US) 1998-08-27 WO disclosed