SCHEMBL4797658

SCHEMBL4797658

COc1cc(OC)cc(C(=O)NC2CCN(C(C)c3ccc(OC)c(C)c3C)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.62
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.48
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL4843518 0.94 MCHR1 (0.58) MCHR1ALDH1A1MEN1KMT2APOLB
SCHEMBL14290988 0.94 MCHR1 (0.63) MCHR1ALDH1A1MEN1KMT2APOLB
SCHEMBL14290836 0.93 MCHR1 (0.54) MCHR1ALDH1A1MEN1KMT2APOLB
SCHEMBL14290835 0.92 MCHR1 (0.54) MCHR1ALDH1A1MEN1KMT2APOLB
SCHEMBL14290598 0.89 MCHR1 (0.51) MCHR1ALDH1A1MEN1KMT2APOLB
SCHEMBL14290889 0.89 MCHR1 (0.51) MCHR1ALDH1A1POLB
SCHEMBL14290887 0.89 MCHR1 (0.59) MCHR1ALDH1A1MEN1KMT2A
SCHEMBL4779273 0.89 MCHR1 (0.59) MCHR1ALDH1A1MEN1KMT2A
SCHEMBL14290928 0.88 MCHR1 (0.56) MCHR1ALDH1A1MEN1KMT2A
SCHEMBL14290927 0.88 MCHR1 (0.56) MCHR1ALDH1A1MEN1KMT2A

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