SCHEMBL7700810

SCHEMBL7700810

CC1CN(C2(c3cccs3)CCCCC2)CCC1O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
PRCP P42785 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
SLC6A9 P48067 4/20 0.43
CHRM3 P20309 2/20 0.41
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A3 Q01959 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL8867380 0.81 SIGMAR1 (0.72) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL7704405 0.81 MEN1 (0.67) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL7698474 0.78 SIGMAR1 (0.62) KMT2AMEN1SIGMAR1CHRM3CHRM2
SCHEMBL29406833 0.77 SIGMAR1 (0.74) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL7697741 0.75 KMT2A (0.62) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL1742361 0.75 SIGMAR1 (1.00) KMT2AMEN1PRCPSIGMAR1SLC6A9
Tenocyclidine SCHEMBL517558 0.75 SIGMAR1 (1.00) KMT2AMEN1PRCPSIGMAR1SLC6A9
Tenocyclidine SCHEMBL7204633 0.73 SIGMAR1 (0.97) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL7170424 0.71 KMT2A (0.60) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL7701227 0.71 KMT2A (0.52) KMT2AMEN1PRCPSIGMAR1SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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