SCHEMBL7701781

SCHEMBL7701781

OC1CCCN(C2(c3cccs3)CCSCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
PRCP P42785 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
CHRM3 P20309 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A9 P48067 4/20 0.36
ALDH1A1 P00352 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 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
SCHEMBL7700290 0.85 KMT2A (0.52) KMT2AMEN1PRCPSIGMAR1CHRM3
SCHEMBL7701227 0.85 KMT2A (0.52) KMT2AMEN1PRCPSIGMAR1CHRM3
SCHEMBL7701106 0.85 KMT2A (0.52) KMT2AMEN1PRCPSIGMAR1CHRM3
SCHEMBL7696297 0.84 KMT2A (0.54) KMT2AMEN1PRCPSIGMAR1CHRM3
SCHEMBL7701615 0.81 SIGMAR1 (0.79) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL8867380 0.74 SIGMAR1 (0.72) KMT2AMEN1PRCPSIGMAR1CHRM3
SCHEMBL7704405 0.74 MEN1 (0.67) KMT2AMEN1PRCPSIGMAR1CHRM3
SCHEMBL7697741 0.73 KMT2A (0.62) KMT2AMEN1PRCPSIGMAR1CHRM3
SCHEMBL7700810 0.71 KMT2A (0.58) KMT2AMEN1PRCPSIGMAR1CHRM3
Tenocyclidine SCHEMBL517558 0.70 SIGMAR1 (1.00) 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