SCHEMBL15911656

SCHEMBL15911656

COc1cccc(Cn2c(OC(=O)NCC3CCN(c4ccncc4)CC3)cc3ccccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.52
CHRM4 P08173 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 2/20 0.43
DRD4 P21917 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL15911269 0.89 F10 (0.58) F10LMNACYP3A4CYP2D6KMT2A
SCHEMBL1675311 0.87 F10 (0.59) F10LMNADRD4ALDH1A1POLB
SCHEMBL15911583 0.86 F10 (0.66) F10CHRM4LMNAKMT2ADRD4
SCHEMBL15911496 0.83 F10 (0.51) F10LMNA
SCHEMBL1675113 0.80 F10 (0.74) F10DRD4
SCHEMBL15911648 0.77 F10 (0.47) F10
SCHEMBL15911366 0.76 F10 (0.78) F10
SCHEMBL15911708 0.74 F10 (0.78) F10KMT2ADRD4
SCHEMBL15911640 0.74 F10 (0.53) F10DRD4
SCHEMBL8354384 0.73 F10 (0.55) F10LMNAKMT2AMEN1ALDH1A1

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