SCHEMBL3976405

SCHEMBL3976405

COc1ccc2c(c1)C=C(C(=O)O)CS2.NCCCCN1CCN(c2ccccc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 5/20 0.47
HTR7 P34969 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
DRD3 P35462 2/20 0.42
DRD4 P21917 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA1A P35348 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL3976400 0.93 ALDH1A1 (0.50) ALDH1A1NPSR1L3MBTL1TSHRHTR7
SCHEMBL3976402 0.86 DRD2 (0.56) ALDH1A1NPSR1TSHRSMN1; SMN2KDM4E
SCHEMBL3973177 0.84 KCNH2 (0.48) DRD3DRD2HSD17B10
SCHEMBL3974266 0.83 HTR2A (0.49) TSHRHTR7LMNADRD3DRD2
SCHEMBL3980650 0.83 DRD2 (0.51) ALDH1A1KDM4EDRD3DRD4DRD2
SCHEMBL3975562 0.79 HTR1A (0.45) ALDH1A1HTR7LMNADRD3DRD2
SCHEMBL3974517 0.77 HTR1A (0.42) ALDH1A1HTR7KDM4EMAPTDRD3
SCHEMBL3186332 0.75 MAOA (0.42) KDM4ELMNA
SCHEMBL3974263 0.75 HTR2A (0.49) TSHRHTR7SMN1; SMN2LMNADRD3
SCHEMBL3980647 0.74 CACNA1G (0.55) ALDH1A1HTR7KDM4EDRD3DRD4

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 claimed
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 claimed