SCHEMBL15911630

SCHEMBL15911630

COc1cccc(Cn2c(OC(=O)NC3CCN(C(C)C)CC3)cc3cc([N+](=O)[O-])ccc32)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.63
DRD4 P21917 2/20 0.44
MCHR1 Q99705 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
PLA2G2A P14555 1/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL15911644 0.91 F10 (0.68) F10DRD4MCHR1SIGMAR1
SCHEMBL1675121 0.90 F10 (0.78) F10DRD4
SCHEMBL15911647 0.88 F10 (0.65) F10DRD4MCHR1SIGMAR1
SCHEMBL15911349 0.88 F10 (0.65) F10DRD4MCHR1SIGMAR1TP53
SCHEMBL15911708 0.87 F10 (0.78) F10DRD4MCHR1KMT2ASIGMAR1
SCHEMBL15911489 0.86 F10 (0.68) F10DRD4MCHR1SIGMAR1
SCHEMBL15911461 0.85 F10 (0.63) F10DRD4MCHR1SIGMAR1PLA2G2A
SCHEMBL15911591 0.81 F10 (0.63) F10DRD4MCHR1SIGMAR1
SCHEMBL1675042 0.81 F10 (0.87) F10DRD4
SCHEMBL15911445 0.80 F10 (0.69) F10DRD4MCHR1SIGMAR1

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