SCHEMBL11089351

SCHEMBL11089351

CCCCCNC1(c2cccc(O)c2)CCC(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.43
OPRM1 P35372 4/20 0.40
OPRK1 P41145 3/20 0.36
OPRD1 P41143 2/20 0.36

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
SCHEMBL11093324 0.99 DRD3 (0.45) DRD3OPRM1OPRK1OPRD1
SCHEMBL11094533 0.96 DRD3 (0.41) DRD3OPRM1
Ethylene SCHEMBL11093778 0.94 DRD3 (0.40) DRD3OPRM1
SCHEMBL11557919 0.91 DRD3 (0.38) DRD3OPRM1OPRD1
SCHEMBL11092102 0.84 GRIN2D (0.36)
SCHEMBL11090461 0.82 CTSD (0.38) OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL11099779 0.81 ALDH1A1 (0.37)
SCHEMBL11097718 0.81 ALDH1A1 (0.37)
SCHEMBL11096535 0.80 OPRM1 (0.43) OPRM1OPRK1OPRD1
SCHEMBL11069466 0.80 ALOX5 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US disclosed