SCHEMBL15911640

SCHEMBL15911640

O=C(NC1CCN(c2ccncc2)CC1)Oc1cc2ccccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.53
F2 P00734 2/20 0.53
DRD4 P21917 2/20 0.45
MCHR1 Q99705 1/20 0.44
CCR2 P41597 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 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
SCHEMBL15911285 0.90 F10 (0.51) F10F2DRD4SIGMAR1CNR1
SCHEMBL15911529 0.88 F10 (0.55) F10F2
SCHEMBL1675000 0.86 F10 (0.70) F10F2CCR2
SCHEMBL15911269 0.85 F10 (0.58) F10F2DRD4MCHR1SIGMAR1
SCHEMBL15911538 0.84 F10 (0.75) F10F2
SCHEMBL15911645 0.83 F10 (0.52) F10F2DRD4
SCHEMBL15911394 0.82 F10 (0.80) F10F2
SCHEMBL15911496 0.78 F10 (0.51) F10F2
SCHEMBL15911421 0.78 F10 (0.66) F10F2
SCHEMBL15911648 0.77 F10 (0.47) F10F2

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