SCHEMBL10626652

SCHEMBL10626652

Cc1cc(O)ccc1C[C@H](N)C(=O)N(CCCc1ccccc1)[C@H](C)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.40
OPRD1 P41143 2/20 0.40
HDAC8 Q9BY41 1/20 0.36
OPRM1 P35372 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
SCHEMBL10626619 0.88 OPRK1 (0.52) OPRK1OPRD1
SCHEMBL10629968 0.88 OPRK1 (0.52) OPRK1OPRD1
Hydrochloric Acid SCHEMBL10626614 0.87 OPRK1 (0.52) OPRK1OPRD1
SCHEMBL10626756 0.86 OPRD1 (0.36) OPRK1OPRD1HDAC8
SCHEMBL10947532 0.85 SIGMAR1 (0.45) OPRK1OPRD1OPRM1
SCHEMBL10630095 0.85 OPRK1 (0.53) OPRK1OPRD1
Hydrochloric Acid SCHEMBL10976444 0.84 SIGMAR1 (0.44) OPRK1OPRD1HDAC8OPRM1
SCHEMBL10421906 0.82 OPRK1 (0.44) OPRK1OPRD1
SCHEMBL10771138 0.82 OPRK1 (0.44) OPRK1OPRD1
SCHEMBL10632814 0.82 OPRK1 (0.44) OPRK1OPRD1OPRM1

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
EP-0154234-A2 Substituted tyrosil alanine dipeptide amides G.D. Searle & Co. (US) 1985-09-11 EP claimed
US-4727189-A ANALGESICS, ANTIHYPERTENSIVE AGENTS G. D. SEARLE & CO. (US) 1988-02-23 US disclosed
US-4599325-A ANALGESIC, HYPOTENSIVE G. D. SEARLE & CO. (US) 1986-07-08 US disclosed