SCHEMBL7695403

SCHEMBL7695403

c1csc(C2(N3CCCCC3)CCOCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
PRCP P42785 1/20 0.77
SLC6A9 P48067 4/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
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
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 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 0.87 SIGMAR1 (1.00) SIGMAR1MEN1KMT2APRCPSLC6A9
Tenocyclidine SCHEMBL517558 0.87 SIGMAR1 (1.00) SIGMAR1MEN1KMT2APRCPSLC6A9
Tenocyclidine SCHEMBL7204633 0.85 SIGMAR1 (0.97) SIGMAR1MEN1KMT2APRCPSLC6A9
SCHEMBL7701615 0.83 SIGMAR1 (0.79) SIGMAR1MEN1KMT2APRCPSLC6A9
Rolicyclidine SCHEMBL15476513 0.79 SIGMAR1 (0.82) SIGMAR1MEN1KMT2APRCPSLC6A9
SCHEMBL1703317 0.79 SIGMAR1 (0.63) SIGMAR1MEN1KMT2APRCPSLC6A9
SCHEMBL29406833 0.77 SIGMAR1 (0.74) SIGMAR1MEN1KMT2APRCPSLC6A9
SCHEMBL7703474 0.76 SIGMAR1 (0.72) SIGMAR1MEN1KMT2APRCPSLC6A9
SCHEMBL1702895 0.75 SIGMAR1 (0.67) SIGMAR1MEN1KMT2APRCPSLC6A9
SCHEMBL8867380 0.73 SIGMAR1 (0.72) SIGMAR1MEN1KMT2APRCPSLC6A9

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