SCHEMBL4779273

SCHEMBL4779273

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.59
HRH3 Q9Y5N1 2/20 0.46
ALDH1A1 P00352 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL14290887 1.00 MCHR1 (0.59) MCHR1HRH3ALDH1A1KDM4DSLC6A5
SCHEMBL4843518 0.94 MCHR1 (0.58) MCHR1ALDH1A1KMT2AMEN1
SCHEMBL14290988 0.94 MCHR1 (0.63) MCHR1HRH3ALDH1A1KMT2AMEN1
SCHEMBL14290927 0.89 MCHR1 (0.56) MCHR1HRH3ALDH1A1KMT2AMEN1
SCHEMBL14290826 0.89 MCHR1 (0.56) MCHR1HRH3ALDH1A1KMT2AMEN1
SCHEMBL14290928 0.89 MCHR1 (0.56) MCHR1HRH3ALDH1A1KMT2AMEN1
SCHEMBL4797658 0.89 MCHR1 (0.62) MCHR1ALDH1A1KMT2AMEN1
SCHEMBL14291766 0.89 MCHR1 (0.56) MCHR1HRH3ALDH1A1KDM4DKMT2A
SCHEMBL4775958 0.87 MCHR1 (0.63) MCHR1HRH3ALDH1A1KDM4DKMT2A
SCHEMBL14291144 0.87 MCHR1 (0.63) MCHR1HRH3ALDH1A1KDM4DKMT2A

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