SCHEMBL7704241

SCHEMBL7704241

c1ccc2c(C3(N4CCCCC4)CCSCC3)occ2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRCP P42785 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CYP2B6 P20813 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL7704237 0.70 SIGMAR1 (0.43) SIGMAR1MEN1KMT2ASLC6A3CYP3A4
SCHEMBL7701926 0.70 SIGMAR1 (0.40) SIGMAR1MEN1KMT2ASLC6A3CYP3A4
SCHEMBL28095881 0.65 ALDH1A1 (0.32)
SCHEMBL7701615 0.65 SIGMAR1 (0.79) SIGMAR1MEN1KMT2ASLC6A3CYP3A4
SCHEMBL3512417 0.63 HPGD (0.46) MEN1KMT2ATSHRNPSR1
SCHEMBL9594231 0.63 SIGMAR1 (0.54) SIGMAR1MEN1KMT2ASLC6A3CYP3A4
SCHEMBL8635455 0.63 SIGMAR1 (0.50) SIGMAR1MEN1KMT2ASLC6A3CYP3A4
SCHEMBL7701828 0.61 SLC6A9 (0.45) SIGMAR1MEN1KMT2ASLC6A3CYP3A4
SCHEMBL7403816 0.58 CHRM1 (0.54) KMT2A
SCHEMBL28282384 0.58 GRIN1 (0.88) SIGMAR1MEN1KMT2ASLC6A3CYP3A4

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