SCHEMBL7701828

SCHEMBL7701828

Cc1ccc(C2(N3CCCCC3)CCSCC2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.45
SIGMAR1 Q99720 10/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
PRCP P42785 2/20 0.43
SLC6A3 Q01959 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CYP2B6 P20813 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL7701587 0.74 SIGMAR1 (0.42) SIGMAR1KMT2AMEN1PRCPSLC6A3
SCHEMBL7701615 0.73 SIGMAR1 (0.79) SLC6A9SIGMAR1KMT2AMEN1PRCP
SCHEMBL9143658 0.73 SLC6A9 (0.46) SLC6A9SIGMAR1KMT2AMEN1SLC6A3
SCHEMBL7701926 0.66 SIGMAR1 (0.40) SIGMAR1KMT2AMEN1PRCPSLC6A3
SCHEMBL29465213 0.64 SIGMAR1 (0.48) SLC6A9SIGMAR1KMT2AMEN1PRCP
SCHEMBL9547961 0.64 SIGMAR1 (0.48) SLC6A9SIGMAR1KMT2AMEN1PRCP
SCHEMBL22195209 0.63 HCAR3 (0.36) SLC6A9KMT2ACYP2C19
SCHEMBL21610764 0.63 HCAR3 (0.36) SLC6A9KMT2ACYP2C19
SCHEMBL25678242 0.62 OPRM1 (0.34) SLC6A9SLC6A3SLC6A2SLC6A4OPRM1
SCHEMBL23878712 0.61 HCAR3 (0.35) SLC6A9KMT2A

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