SCHEMBL7342184

SCHEMBL7342184

COc1ccc(CN(C(=O)CN2CCN(C)CC2)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNF4 P78317 1/20 0.47
TAS2R14 Q9NYV8 4/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CHRM1 P11229 3/20 0.46
CHRM3 P20309 3/20 0.46
CHRM5 P08912 2/20 0.46
PTGES O14684 2/20 0.45
ALOX5 P09917 1/20 0.45
HTR2A P28223 1/20 0.45
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAS2R8 Q9NYW2 1/20 0.44
CXCR3 P49682 1/20 0.44
LTB4R2 Q9NPC1 2/20 0.44
CHRM2 P08172 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
SCHEMBL7347840 0.93 MAPT (0.50) RNF4KDM4EALDH1A1LMNACHRM1
SCHEMBL7349167 0.90 RNF4 (0.59) RNF4KDM4EALDH1A1LMNACHRM1
SCHEMBL7343295 0.89 RNF4 (0.46) RNF4KDM4EALDH1A1LMNACHRM1
SCHEMBL7346461 0.89 OPRM1 (0.53) RNF4ALDH1A1CHRM1CHRM3CHRM5
SCHEMBL7348763 0.88 ALDH1A1 (0.53) RNF4KDM4EALDH1A1LMNACHRM1
SCHEMBL7341561 0.88 RNF4 (0.46) RNF4KDM4EALDH1A1LMNACHRM1
SCHEMBL7339267 0.88 BCL2A1 (0.57) RNF4ALDH1A1LMNACHRM1CHRM3
SCHEMBL7347769 0.88 ALDH1A1 (0.52) RNF4KDM4EALDH1A1LMNACHRM1
SCHEMBL7347126 0.80 HDAC1 (0.49) RNF4ALDH1A1CHRM1CHRM3CHRM5
SCHEMBL7339248 0.79 KDM4E (0.47) KDM4EALDH1A1LMNAMAPTPOLB

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