SCHEMBL10639902

SCHEMBL10639902

CNCC1(O)CCN(C(C)c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 11/20 0.61
▸ OPRM1 P35372 10/20 0.61
▸ OPRD1 P41143 10/20 0.61
▸ OPRK1 P41145 10/20 0.61
▸ CYP2D6 P10635 1/20 0.56
▸ MC4R P32245 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.46
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45

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
Oxalic Acid SCHEMBL10640022 0.94 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL10643178 0.85 OPRL1 (0.55) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL10639858 0.83 OPRL1 (0.63) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL10640033 0.78 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL1681737 0.77 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL1681920 0.77 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL1681741 0.77 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL13741191 0.77 CYP2D6 (0.35) OPRL1OPRM1OPRD1OPRK1CYP2D6
Hydrochloric Acid SCHEMBL1682087 0.76 OPRL1 (0.55) OPRL1OPRM1OPRD1OPRK1CYP2D6
Hydrochloric Acid SCHEMBL1681488 0.76 OPRL1 (0.55) OPRL1OPRM1OPRD1OPRK1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295833-A1 Aromatic-Spiropiperidine oxazepinones (and thiones) A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-12-21 — — EP disclosed
US-4746655-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1988-05-24 — — US disclosed
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