SCHEMBL4740588

SCHEMBL4740588

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC45CCCC(CC4)N5C)cc3)cc2)c(C(F)(F)F)c1.CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OCC4CCN(C(C)C)CC4)cc3)cc2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.37
BRAF P15056 6/20 0.37
RAF1 P04049 2/20 0.37
ARAF P10398 2/20 0.37
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 1/20 0.34
P2RY1 P47900 1/20 0.34
KDR P35968 1/20 0.34
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4232012 0.88 EPHX2 (0.39) MCHR1BRAFRAF1ARAFUBE2M
SCHEMBL4229247 0.86 MCHR1 (0.45) MCHR1KDM4EMEN1KMT2ANPC1
SCHEMBL4237055 0.84 MCHR1 (0.44) MCHR1MEN1MAPTKMT2ANPC1
SCHEMBL4237367 0.82 MCHR1 (0.39) MCHR1MEN1MAPTKMT2A
SCHEMBL4238808 0.82 MCHR1 (0.42) MCHR1KDM4EMEN1MAPTKMT2A
SCHEMBL4228419 0.81 MCHR1 (0.41) MCHR1KDM4EMEN1KMT2ANPC1
SCHEMBL4240029 0.81 MCHR1 (0.43) MCHR1KDM4EMEN1MAPTKMT2A
SCHEMBL4235444 0.81 MCHR1 (0.40) MCHR1KDM4EKMT2ANPC1RAB9A
SCHEMBL4233302 0.80 PKM (0.38) MCHR1BRAFKDM4EMEN1MAPT
SCHEMBL4226989 0.80 TAS1R3 (0.39) MCHR1CYP2C19KDRNPC1RAB9A

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 disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed