SCHEMBL3974264

SCHEMBL3974264

COc1ccc2c(c1)C=C(C(=O)NCCCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)CS2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 15/20 0.57
DRD2 P14416 9/20 0.57
ADRA1A P35348 1/20 0.57
HTR2A P28223 12/20 0.53
HTR1A P08908 11/20 0.53
HTR2C P28335 7/20 0.53
HTR7 P34969 1/20 0.53
HTR6 P50406 1/20 0.53
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL3973175 0.89 DRD3 (0.55) DRD3DRD2ADRA1AHTR2AHTR1A
SCHEMBL3981785 0.89 DRD2 (0.62) DRD3DRD2ADRA1AHTR2AHTR1A
SCHEMBL3984452 0.86 DRD3 (0.62) DRD3DRD2HTR2AHTR1AHTR2C
SCHEMBL3974266 0.86 HTR2A (0.49) DRD3DRD2HTR2AHTR1AHTR2C
SCHEMBL3974263 0.85 HTR2A (0.49) DRD3DRD2HTR2AHTR1AHTR2C
SCHEMBL3976402 0.83 DRD2 (0.56) DRD3DRD2ADRA1AHTR2AHTR1A
SCHEMBL8231965 0.81 DRD4 (0.57) DRD3DRD2HTR2AHTR1AHTR2C
SCHEMBL3982334 0.80 DRD2 (0.59) DRD3DRD2ADRA1AHTR2AHTR1A
SCHEMBL3982374 0.79 DRD3 (0.52) DRD3DRD2ADRA1AHTR2AHTR1A
SCHEMBL3976554 0.78 DRD3 (0.58) DRD3DRD2ADRA1AHTR2AHTR1A

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
EP-2057138-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME Pierre Fabre Medicament (FR) 2009-05-13 EP disclosed
WO-2008009741-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2008-01-24 WO disclosed