SCHEMBL7343295

SCHEMBL7343295

COc1ccc(N(Cc2ccc(O)cc2)C(=O)CN2CCN(C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNF4 P78317 1/20 0.46
MAPT P10636 1/20 0.46
CHRM1 P11229 3/20 0.45
CHRM3 P20309 3/20 0.45
CHRM5 P08912 2/20 0.45
BCL2A1 Q16548 2/20 0.44
GAA P10253 1/20 0.43
OPRM1 P35372 1/20 0.43
CHRM2 P08172 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL7347840 0.95 MAPT (0.50) RNF4MAPTCHRM1CHRM3CHRM5
SCHEMBL7346461 0.91 OPRM1 (0.53) RNF4MAPTCHRM1CHRM3CHRM5
SCHEMBL7341561 0.90 RNF4 (0.46) RNF4MAPTCHRM1CHRM3CHRM5
SCHEMBL7348763 0.90 ALDH1A1 (0.53) RNF4MAPTCHRM1CHRM3CHRM5
SCHEMBL7347769 0.90 ALDH1A1 (0.52) RNF4MAPTCHRM1CHRM3CHRM5
SCHEMBL7339248 0.90 KDM4E (0.47) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL7339267 0.90 BCL2A1 (0.57) RNF4MAPTCHRM1CHRM3CHRM5
SCHEMBL7349167 0.90 RNF4 (0.59) RNF4CHRM1CHRM3CHRM5OPRM1
SCHEMBL7342184 0.89 RNF4 (0.47) RNF4MAPTCHRM1CHRM3CHRM5
SCHEMBL7340750 0.87 MEN1 (0.45) OPRM1ALDH1A1KDM4EMEN1KMT2A

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
EP-0585500-A1 Diaryl piperazineacetamides as antimuscarinic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-09 EP disclosed