SCHEMBL7702620

SCHEMBL7702620

CC1CSCCC1(O)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.36
PRCP P42785 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
ELANE P08246 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7706916 0.78 SLC6A3 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6916553 0.76 CHRM3 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9312365 0.74 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9312368 0.74 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9312371 0.74 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7700857 0.73 PRCP (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20887792 0.71 OPRM1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9876733 0.69 KMT2A (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9876730 0.69 KMT2A (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9876737 0.69 KMT2A (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342511-B1 RACEMIC, ENANTIOMORPHS AND DIASTERIOMORPHS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-29 US disclosed
EP-0986555-A1 NOVEL PHENCYCLIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-03-22 EP disclosed
WO-1998055478-A1 NOVEL PHENCYCLIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-12-10 WO disclosed