SCHEMBL7703474

SCHEMBL7703474

c1csc(C2(N3CCCCC3)CCCSC2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
PRCP P42785 2/20 0.72
SLC6A3 Q01959 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
SLC6A9 P48067 3/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP2B6 P20813 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL1742361 0.84 SIGMAR1 (1.00) SIGMAR1MEN1KMT2APRCPSLC6A3
Tenocyclidine SCHEMBL517558 0.84 SIGMAR1 (1.00) SIGMAR1MEN1KMT2APRCPSLC6A3
SCHEMBL7701615 0.83 SIGMAR1 (0.79) SIGMAR1MEN1KMT2APRCPSLC6A3
Tenocyclidine SCHEMBL7204633 0.83 SIGMAR1 (0.97) SIGMAR1MEN1KMT2APRCPSLC6A3
Rolicyclidine SCHEMBL15476513 0.77 SIGMAR1 (0.82) SIGMAR1MEN1KMT2APRCPSLC6A3
SCHEMBL7695403 0.76 SIGMAR1 (0.77) SIGMAR1MEN1KMT2APRCPSLC6A3
SCHEMBL29406833 0.72 SIGMAR1 (0.74) SIGMAR1MEN1KMT2APRCPSLC6A3
SCHEMBL8867380 0.71 SIGMAR1 (0.72) SIGMAR1MEN1KMT2APRCPSLC6A3
SCHEMBL8866891 0.70 SIGMAR1 (0.73) SIGMAR1MEN1KMT2APRCPSLC6A3
SCHEMBL1702895 0.70 SIGMAR1 (0.67) SIGMAR1MEN1KMT2APRCPSLC6A3

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