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SCHEMBL4741379

SCHEMBL4741379

CCC(CC)NC(=O)Nc1cc(F)c(Oc2ccc(NC(=O)c3ccc(OC4CCNCC4)cc3)cc2)cc1F.CCOc1cc(NC(=O)NC(CC)CC)ccc1Oc1ccc(NC(=O)c2ccc(N(C)C3CCNCC3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DDR2 Q16832 1/20 0.34
▸ MAPK14 Q16539 2/20 0.33
▸ RAF1 P04049 2/20 0.33
▸ CTNNB1 P35222 5/20 0.33
▸ BCL9 O00512 4/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ TOP2A P11388 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL4232410 0.89 PKM (0.39) MAPK14
SCHEMBL4235502 0.87 TAS1R3 (0.40) CTNNB1BCL9CSF1RFLT3
SCHEMBL4744081 0.84 MCHR1 (0.38) MAPK14
SCHEMBL4683520 0.82 PKM (0.39) MAPK14
SCHEMBL4744078 0.80 SSTR5 (0.36) MAPK14
SCHEMBL4236654 0.80 PKM (0.47) —
SCHEMBL4228379 0.80 MCHR1 (0.41) MAPK14
SCHEMBL4683021 0.79 TRPV1 (0.37) MAPK14
SCHEMBL4741716 0.79 CCR5 (0.35) CTNNB1BCL9
SCHEMBL4687107 0.78 MAPT (0.41) MAPK14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 — — EP claimed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 — — WO claimed