SCHEMBL15911583

SCHEMBL15911583

COc1cccc(Cn2c(OC(=O)NCC3CCN(C(C)C)CC3)cc3ccccc32)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.66
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.45
DRD4 P21917 3/20 0.43
DRD2 P14416 1/20 0.42
HTR4 Q13639 1/20 0.42
CHRM4 P08173 1/20 0.41
MCHR1 Q99705 1/20 0.41
MEN1 O00255 1/20 0.41

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) F10KMT2ADRD4MCHR1
SCHEMBL1675363 0.86 F10 (0.78) F10LMNAKMT2ADRD4DRD2
SCHEMBL15911656 0.86 F10 (0.52) F10LMNAKMT2ADRD4CHRM4
SCHEMBL15911489 0.81 F10 (0.68) F10DRD4MCHR1
SCHEMBL15911644 0.81 F10 (0.68) F10DRD4MCHR1
SCHEMBL15911445 0.81 F10 (0.69) F10DRD4MCHR1
SCHEMBL1675257 0.79 F10 (1.00) F10DRD4
SCHEMBL15911525 0.79 F10 (0.65) F10DRD4
SCHEMBL15911647 0.79 F10 (0.65) F10DRD4MCHR1
SCHEMBL15911349 0.79 F10 (0.65) F10LMNADRD4MCHR1

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