SCHEMBL4775958

SCHEMBL4775958

COc1cc(OC)cc(C(=O)NC2CCN(C(C)c3ccc(O)c(C)c3C)C2)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.63
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4D Q6B0I6 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL14291144 1.00 MCHR1 (0.63) MCHR1ALDH1A1MEN1KMT2AKDM4D
SCHEMBL14290988 0.90 MCHR1 (0.63) MCHR1ALDH1A1MEN1KMT2AHRH3
SCHEMBL4779273 0.87 MCHR1 (0.59) MCHR1ALDH1A1MEN1KMT2AKDM4D
SCHEMBL14290887 0.87 MCHR1 (0.59) MCHR1ALDH1A1MEN1KMT2AKDM4D
SCHEMBL14290927 0.85 MCHR1 (0.56) MCHR1ALDH1A1MEN1KMT2AHRH3
SCHEMBL14290826 0.85 MCHR1 (0.56) MCHR1ALDH1A1MEN1KMT2AHRH3
SCHEMBL14290928 0.85 MCHR1 (0.56) MCHR1ALDH1A1MEN1KMT2AHRH3
SCHEMBL14291145 0.85 MCHR1 (0.61) MCHR1ALDH1A1MEN1KMT2AKDM4D
SCHEMBL14291766 0.85 MCHR1 (0.56) MCHR1ALDH1A1MEN1KMT2AKDM4D
SCHEMBL4797658 0.84 MCHR1 (0.62) MCHR1ALDH1A1MEN1KMT2APOLB

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
WO-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 WO disclosed