SCHEMBL4688079

SCHEMBL4688079

CCCCCNC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(N(C)C4CCN(CC)CC4)cc3)cc2)c(OCC)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
TSHR P16473 2/20 0.39
MCHR1 Q99705 4/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
MCL1 Q07820 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TP53 P04637 1/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL4686821 0.92 CHRM4 (0.48) MAPTMCHR1ALDH1A1KMT2ARAB9A
SCHEMBL4686765 0.89 MCHR1 (0.46) MAPTMCHR1ALDH1A1KMT2ARAB9A
SCHEMBL4228379 0.87 MCHR1 (0.41) MAPTTSHRMCHR1ALDH1A1POLB
SCHEMBL4240513 0.85 MCHR1 (0.40) MAPTTSHRMCHR1ALDH1A1KMT2A
SCHEMBL4686962 0.85 CACNA1B (0.51) MAPTTSHRMCHR1ALDH1A1POLB
SCHEMBL4744081 0.84 MCHR1 (0.38) MAPTMCHR1ALDH1A1POLBKMT2A
SCHEMBL4683722 0.83 MAPT (0.49) MAPTTSHRMCHR1ALDH1A1KMT2A
SCHEMBL4683524 0.81 MCHR1 (0.41) MAPTTSHRMCHR1ALDH1A1KMT2A
SCHEMBL4683022 0.81 MCHR1 (0.40) MAPTTSHRMCHR1ALDH1A1KMT2A
SCHEMBL4687113 0.80 KMT2A (0.43) MAPTMCHR1ALDH1A1KMT2A

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