SCHEMBL15911543

SCHEMBL15911543

COc1ccc(-n2c(OC(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.64
MAPT P10636 1/20 0.48
MCHR1 Q99705 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR4 Q13639 1/20 0.43
F2 P00734 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
SCHEMBL15911673 0.92 F10 (0.77) F10MAPTMCHR1CYP3A4CYP2D6
SCHEMBL15911308 0.90 F10 (0.74) F10F2
SCHEMBL15911677 0.87 F10 (0.64) F10CYP3A4CYP2D6HTR4F2
SCHEMBL1674977 0.87 F10 (0.84) F10MCHR1F2
SCHEMBL15911354 0.85 F10 (0.75) F10CYP3A4CYP2D6HTR4F2
SCHEMBL15911525 0.84 F10 (0.65) F10F2
SCHEMBL15911607 0.84 F10 (0.46) F10MAPTMCHR1F2
SCHEMBL15911398 0.80 F10 (0.60) F10MAPTMCHR1
SCHEMBL15911534 0.79 F10 (0.59) F10MAPTMCHR1
SCHEMBL15911708 0.79 F10 (0.78) F10MCHR1F2

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
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP claimed