SCHEMBL7701926

SCHEMBL7701926

c1coc(C2(N3CCCCC3)CCSCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.40
PRCP P42785 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
SLC6A3 Q01959 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CYP2B6 P20813 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL7703496 0.87 SIGMAR1 (0.53) SIGMAR1PRCPGRIN1GRIN2AGRIN2B
SCHEMBL7704237 0.73 SIGMAR1 (0.43) SIGMAR1PRCPGRIN1GRIN2AGRIN2B
SCHEMBL7701615 0.70 SIGMAR1 (0.79) SIGMAR1PRCPGRIN1GRIN2AGRIN2B
SCHEMBL7704241 0.70 SIGMAR1 (0.40) SIGMAR1PRCPGRIN1GRIN2AGRIN2B
SCHEMBL7701828 0.66 SLC6A9 (0.45) SIGMAR1PRCPGRIN1GRIN2AGRIN2B
SCHEMBL8413432 0.65 PRCP (0.45) SIGMAR1PRCPGRIN1GRIN2AGRIN2B
SCHEMBL8410312 0.65 PRCP (0.45) SIGMAR1PRCPGRIN1GRIN2AGRIN2B
SCHEMBL8410313 0.65 PRCP (0.45) SIGMAR1PRCPGRIN1GRIN2AGRIN2B
SCHEMBL13992800 0.63 SLC6A4 (0.38) SLC6A3SLC6A4MEN1KMT2AOPRM1
SCHEMBL7701587 0.61 SIGMAR1 (0.42) SIGMAR1PRCPGRIN1GRIN2AGRIN2B

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