SCHEMBL7968774

SCHEMBL7968774

COC(=O)c1ccc(-c2nc(-c3ccc([C@H](c4cccc(O)c4)N4C[C@@H](C)N(Cc5ccccc5)C[C@@H]4C)cc3)no2)cc1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.49

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
SCHEMBL7970775 0.93 CYP1A2 (0.48) OPRD1
SCHEMBL7967841 0.89
SCHEMBL7971007 0.85
SCHEMBL7971086 0.84
SCHEMBL7971009 0.82 OPRD1 (0.44) OPRD1
SCHEMBL12016540 0.80 CYP1A2 (0.60) OPRD1
SCHEMBL7958211 0.80 CYP1A2 (0.55) OPRD1
SCHEMBL7973731 0.79
SCHEMBL5080369 0.79 OPRD1 (0.71) OPRD1
SCHEMBL5080374 0.79 OPRD1 (0.71) OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200978-B1 FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS PFIZER INC. 2001-03-13 US disclosed