SCHEMBL7704237

SCHEMBL7704237

c1ccc2oc(C3(N4CCCCC4)CCSCC3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.43
SLC6A3 Q01959 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 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
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
POLB P06746 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
SCHEMBL9594958 0.89 SIGMAR1 (0.50) SIGMAR1SLC6A3MEN1KMT2ACYP3A4
SCHEMBL7701926 0.73 SIGMAR1 (0.40) SIGMAR1SLC6A3MEN1KMT2ACYP3A4
SCHEMBL7704241 0.70 SIGMAR1 (0.40) SIGMAR1SLC6A3MEN1KMT2ACYP3A4
SCHEMBL10368267 0.68 SLC6A2 (0.45) SLC6A3KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL7701615 0.68 SIGMAR1 (0.79) SIGMAR1SLC6A3MEN1KMT2ACYP3A4
SCHEMBL20581416 0.64 PRKDC (0.52) KMT2AALDH1A1HPGDL3MBTL1CHRM2
SCHEMBL7850117 0.64 CHRNB2 (0.44) SIGMAR1SLC6A3MEN1KMT2ACYP3A4
SCHEMBL3512413 0.63 ALDH1A1 (0.51) KMT2ATSHRNPSR1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7849918 0.63 CHRNB2 (0.43) SIGMAR1SLC6A3MEN1KMT2ACYP3A4
SCHEMBL27581467 0.61 PRKDC (0.50) KMT2ATSHRNPSR1ALDH1A1HPGD

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