SCHEMBL9720664

SCHEMBL9720664

Cc1ccc(-c2nc(CN3CCN(Cc4nc(-c5ccc(C)cc5)[nH]c4C)CC3)c(C)[nH]2)cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.62
DRD4 P21917 1/20 0.62
DRD3 P35462 1/20 0.62
CTSS P25774 17/20 0.55
GNRHR P30968 1/20 0.44

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
Hydrochloric Acid SCHEMBL10644520 0.93 DRD2 (0.56) DRD2DRD4DRD3CTSS
SCHEMBL9720668 0.93 DRD2 (0.55) DRD2DRD4DRD3CTSS
SCHEMBL8963868 0.91 DRD2 (0.63) DRD2DRD4DRD3CTSS
SCHEMBL9725056 0.88 DRD4 (0.67) DRD2DRD4DRD3CTSSGNRHR
SCHEMBL8964084 0.88 DRD2 (0.52) DRD2DRD4DRD3CTSS
SCHEMBL9425835 0.87 DRD2 (0.54) DRD2DRD4DRD3CTSS
SCHEMBL9720670 0.87 DRD4 (0.57) DRD2DRD4DRD3CTSS
SCHEMBL8963961 0.86 DRD2 (0.58) DRD2DRD4DRD3CTSS
Lifarizine SCHEMBL676318 0.85 DRD2 (0.57) DRD2DRD4DRD3CTSS
SCHEMBL8963501 0.84 CTSS (0.52) DRD2DRD4DRD3CTSS

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-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed