SCHEMBL4744078

SCHEMBL4744078

CCOc1cc(NC(=O)NC(CC)CC)ccc1Oc1ccc(NC(=O)c2ccc(N(C)C3CCNCC3)cc2)cc1.CCOc1cc(NC(=O)NC(CC)CC)ccc1Oc1ccc(NC(=O)c2ccc(NCC3CCN(CC)CC3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.36
MCHR1 Q99705 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
FGFR1 P11362 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MAPK14 Q16539 1/20 0.33
CHRM1 P11229 1/20 0.33
CCR5 P51681 1/20 0.32
MCHR2 Q969V1 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
SCHEMBL4744081 0.94 MCHR1 (0.38) MCHR1ALDH1A1MAPTPOLBKMT2A
SCHEMBL4228379 0.90 MCHR1 (0.41) MCHR1ALDH1A1MAPTPOLBKMT2A
SCHEMBL4232410 0.90 PKM (0.39) ALDH1A1MAPTKMT2AKDM4ETSHR
SCHEMBL4234367 0.90 SSTR5 (0.42) SSTR5MCHR1ALDH1A1MAPTPOLB
SCHEMBL4240513 0.84 MCHR1 (0.40) MCHR1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL4240511 0.83 SSTR5 (0.42) SSTR5MCHR1ALDH1A1MAPTKMT2A
SCHEMBL4683520 0.83 PKM (0.39) MCHR1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL4238698 0.82 CCR5 (0.47) MCHR1ALDH1A1MAPTKMT2ACCR5
SCHEMBL4238693 0.82 CHRM4 (0.47) SSTR5MCHR1ALDH1A1MAPTKMT2A
SCHEMBL4687107 0.80 MAPT (0.41) MCHR1MAPTPOLBKMT2AMAPK14

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