SCHEMBL3974512

SCHEMBL3974512

COc1ccc(N2CCN(CCCC(N)=O)CC2)cc1OC.O=C(O)C1=Cc2ccccc2SC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
HTR7 P34969 1/20 0.41
HTR1A P08908 5/20 0.41
HTR4 Q13639 1/20 0.41
GFER P55789 1/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3974517 0.92 HTR1A (0.42) MAPTHTR7HTR1AHTR4ALDH1A1
SCHEMBL3982372 0.86 HTR7 (0.51) MAPTHTR7HTR1AALDH1A1MEN1
SCHEMBL3974515 0.84 DRD3 (0.53) HTR1ACYP1A2CYP3A4CYP2D6DRD2
SCHEMBL3981781 0.82 DRD2 (0.50) HTR7HTR1APOLBDRD2HTR2A
SCHEMBL3196764 0.81 HTR1A (0.51) MAPTHTR7HTR1AGFERALDH1A1
SCHEMBL3980647 0.81 CACNA1G (0.55) HTR7HTR1AALDH1A1POLBKDM4E
Hydrochloric Acid SCHEMBL3188893 0.80 HTR1A (0.50) MAPTHTR7HTR1AGFERALDH1A1
SCHEMBL3982331 0.79 HTR1A (0.51) HTR7HTR1ADRD2HTR2A
SCHEMBL3974263 0.78 HTR2A (0.49) HTR7HTR1ADRD2HTR2AMEN1
SCHEMBL3982377 0.77 HTR7 (0.51) MAPTHTR7HTR1AALDH1A1CYP2D6

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