SCHEMBL15911591

SCHEMBL15911591

COc1cccc(Cn2c(OC(=O)NC3CCN(C(C)C)CC3)cc3c(OC)cccc32)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.63
MAPT P10636 1/20 0.47
MCHR1 Q99705 5/20 0.47
DRD4 P21917 2/20 0.47
CCR8 P51685 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
KCNH2 Q12809 1/20 0.45
CCR3 P51677 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
SCHEMBL15911708 0.88 F10 (0.78) F10MCHR1DRD4SIGMAR1
SCHEMBL1674970 0.88 F10 (0.78) F10MAPTMCHR1DRD4CCR8
SCHEMBL15911489 0.86 F10 (0.68) F10MAPTMCHR1DRD4SIGMAR1
SCHEMBL15911644 0.86 F10 (0.68) F10MAPTMCHR1DRD4SIGMAR1
SCHEMBL15911349 0.84 F10 (0.65) F10MAPTMCHR1DRD4SIGMAR1
SCHEMBL15911647 0.84 F10 (0.65) F10MCHR1DRD4SIGMAR1
SCHEMBL15911363 0.83 F10 (0.58) F10
SCHEMBL15911461 0.81 F10 (0.63) F10MAPTMCHR1DRD4SIGMAR1
SCHEMBL15911630 0.81 F10 (0.63) F10MCHR1DRD4SIGMAR1
SCHEMBL15911445 0.81 F10 (0.69) F10MCHR1DRD4SIGMAR1

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