SCHEMBL7697741

SCHEMBL7697741

OCC1CCCN(C2(c3cccs3)CCCCC2)C1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 1/20 0.62
PRCP P42785 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
SLC6A9 P48067 4/20 0.43
CHRM3 P20309 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
CYP2D6 P10635 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7704405 0.81 MEN1 (0.67) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL9129387 0.79 SIGMAR1 (0.58) PRCPSIGMAR1SLC6A9SLC6A2MMP2
SCHEMBL1742361 0.78 SIGMAR1 (1.00) KMT2AMEN1PRCPSIGMAR1SLC6A9
Tenocyclidine SCHEMBL517558 0.78 SIGMAR1 (1.00) KMT2AMEN1PRCPSIGMAR1SLC6A9
Tenocyclidine SCHEMBL7204633 0.76 SIGMAR1 (0.97) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL8867380 0.76 SIGMAR1 (0.72) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL7700810 0.75 KMT2A (0.58) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL29406833 0.74 SIGMAR1 (0.74) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL7701781 0.73 KMT2A (0.52) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL7701106 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