SCHEMBL8711690

SCHEMBL8711690

O=Cc1ccccc1-c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 1.00
DRD4 P21917 16/20 1.00
HTR2A P28223 1/20 0.64
NAMPT P43490 1/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
NCOR2 Q9Y618 1/20 0.58

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
SCHEMBL8712702 0.86 DRD2 (1.00) DRD2DRD4HTR2ANAMPT
SCHEMBL8707354 0.86 DRD2 (1.00) DRD2DRD4HTR2A
SCHEMBL8706290 0.86 DRD2 (1.00) DRD2DRD4HTR2A
SCHEMBL8711691 0.85 DRD4 (0.74) DRD2DRD4
SCHEMBL7694198 0.83 DRD2 (0.85) DRD2DRD4HTR2ANAMPT
SCHEMBL7694199 0.83 DRD2 (0.85) DRD2DRD4HTR2ANAMPT
SCHEMBL8706523 0.83 DRD2 (1.00) DRD2DRD4HTR2ANAMPT
SCHEMBL8706273 0.83 DRD2 (0.89) DRD2DRD4HTR2ANAMPT
SCHEMBL8711087 0.82 DRD2 (1.00) DRD2DRD4HTR2A
SCHEMBL8712704 0.82 DRD2 (0.76) DRD2DRD4

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