SCHEMBL7701227

SCHEMBL7701227

C[C@@H]1CCCN(C2(c3cccs3)CCSCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
PRCP P42785 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
SLC6A9 P48067 4/20 0.38
CHRM3 P20309 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7701106 1.00 KMT2A (0.52) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL7700290 1.00 KMT2A (0.52) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL7704405 0.90 MEN1 (0.67) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL7701781 0.85 KMT2A (0.52) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL7701615 0.81 SIGMAR1 (0.79) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL8119380 0.77 SIGMAR1 (0.58) KMT2AMEN1SIGMAR1CHRM3CHRM2
SCHEMBL7696297 0.76 KMT2A (0.54) KMT2AMEN1PRCPSIGMAR1SLC6A9
SCHEMBL7701486 0.75 MAPT (0.38) KMT2AMEN1
SCHEMBL7700804 0.75 MAPT (0.38) KMT2AMEN1
SCHEMBL7695733 0.75 MAPT (0.38) KMT2AMEN1

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