SCHEMBL7653400

SCHEMBL7653400

OCCc1ccccc1NC1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
SLC6A9 P48067 1/20 0.39
ALDH1A1 P00352 5/20 0.37
HTT P42858 3/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CACNA2D1 P54289 2/20 0.36
CACNA1B Q00975 2/20 0.36
CACNB1 Q02641 2/20 0.36
CACNA1C Q13936 2/20 0.36
LMNA P02545 2/20 0.36
CACNA1H O95180 1/20 0.36

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
SCHEMBL7395753 0.89 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1SLC6A9
SCHEMBL9904612 0.76 GAA (0.47) OPRM1OPRD1OPRK1OPRL1SLC6A9
SCHEMBL21640167 0.74 SLC6A9 (0.43) OPRM1OPRD1OPRK1OPRL1SLC6A9
SCHEMBL2912672 0.73 KMT2A (0.43) OPRM1OPRD1SLC6A9ALDH1A1HTT
SCHEMBL3108615 0.72 KMT2A (0.40) OPRM1OPRD1OPRK1OPRL1SLC6A9
SCHEMBL7484764 0.72 LMNA (0.56) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL1744817 0.72 NPSR1 (0.49) SLC6A9ALDH1A1HTTCNR1CNR2
SCHEMBL71274 0.68 SLC6A9 (0.43) OPRM1OPRD1OPRK1OPRL1SLC6A9
SCHEMBL1104991 0.68 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1SLC6A9
SCHEMBL72670 0.68 MEN1 (0.48) OPRM1OPRD1OPRK1OPRL1SLC6A9

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
US-6355631-B1 TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA AVENTIS PHARMA S.A. (FR) 2002-03-12 US claimed