SCHEMBL3977781

SCHEMBL3977781

COc1ccc(N2CCN(CCCC(N)=O)CC2)cc1.COc1ccc2c(c1)C=C(C(=O)O)CO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
HTR1A P08908 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
DRD4 P21917 2/20 0.45
ADRB1 P08588 1/20 0.44
HTR2B P41595 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.44
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAOB P27338 1/20 0.43
SHMT2 P34897 1/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL3978985 0.93 DRD4 (0.43) POLBTP53HSD17B10DRD2HTR2A
SCHEMBL3977788 0.91 HSD17B10 (0.54) POLBTP53HSD17B10DRD2HTR2A
SCHEMBL3980504 0.86 MAPT (0.43) DRD2HTR1ADRD4LMNAALDH1A1
SCHEMBL3978989 0.84 HSD17B10 (0.46) POLBTP53HSD17B10DRD2HTR2A
SCHEMBL3980711 0.84 POLB (0.43) POLBDRD2MEN1KMT2ADRD4
SCHEMBL3977786 0.82 DRD3 (0.57) POLBTP53DRD2HTR2AHTR1A
SCHEMBL3186218 0.80 HSD17B10 (0.70) POLBTP53HSD17B10DRD2HTR2A
Hydrochloric Acid SCHEMBL3199211 0.79 HSD17B10 (0.68) POLBTP53HSD17B10DRD2HTR2A
SCHEMBL3198679 0.78 MAOB (0.64) TP53MEN1KMT2AALOX5ALDH1A1
SCHEMBL3980507 0.78 MAPT (0.43) HTR2AHTR1ADRD4LMNAALDH1A1

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