SCHEMBL8329089

SCHEMBL8329089

CCOC1(c2ccccc2)CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.55
OPRD1 P41143 3/20 0.55
OPRK1 P41145 3/20 0.55
OPRL1 P41146 3/20 0.55
TACR1 P25103 6/20 0.44
HTR2A P28223 1/20 0.43
DRD3 P35462 1/20 0.42
AKT2 P31751 1/20 0.38

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
Hydrochloric Acid SCHEMBL18424795 0.98 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1TACR1
SCHEMBL3018551 0.86 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1TACR1
SCHEMBL28865491 0.83 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1TACR1
SCHEMBL10603880 0.83 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL28818442 0.83 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1
SCHEMBL18895934 0.83 DRD2 (0.50) OPRM1OPRD1OPRK1OPRL1AKT2
SCHEMBL6928751 0.82 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1TACR1
SCHEMBL15043695 0.81 OPRM1 (0.58) OPRM1OPRD1OPRK1OPRL1DRD3
Hydrochloric Acid SCHEMBL29041993 0.81 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1TACR1
Hydrochloric Acid SCHEMBL8367126 0.80 DRD3 (0.45) OPRM1OPRD1OPRK1OPRL1TACR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4022791-A ANALGESICS, TRANQUILIZERS PFIZER INC. (US) 1977-05-10 US claimed
US-5925642-A ANTITUMOR, ANTIMETASTASIS AGENTS; DRUG RESISTANCE MODULATORS; SYNERGISTIC MIXTURES WITH ANTIBIOTICS AND CYTOSTATIC AGENTS; SIDE EFFECT REDUCTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-07-20 US disclosed
US-5668131-A CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-16 US disclosed
US-4140781-A Analgesic and neuraleptic 2-piperidinoalkyl-1,4-benzodioxans CIBA-GEIGY CORPORATION (US) 1979-02-20 US disclosed
US-4129655-A Neuroleptic 2-piperidinoalkyl-1,4-benzodioxans CIBA-GEIGY CORPORATION (US) 1978-12-12 US disclosed
US-4104396-A NEUROLEPTIC, ANALGESIC CIBA-GEIGY CORPORATION (US) 1978-08-01 US disclosed