SCHEMBL7968646

SCHEMBL7968646

C=CCN1CCN(C(c2ccc(-c3nc(CC(=O)OCC)cs3)cc2)c2cccc(O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.51
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL7971485 0.89 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL7967717 0.87 OPRD1 (0.47) OPRD1OPRM1OPRK1
SCHEMBL7973891 0.83 OPRD1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL7971327 0.75 CYP1A2 (0.47) OPRD1OPRM1OPRK1
SCHEMBL8847666 0.75 MAPT (0.53)
SCHEMBL2752684 0.74 OPRD1 (0.66) OPRD1OPRM1OPRK1
SCHEMBL6935776 0.74 OPRD1 (0.66) OPRD1OPRM1OPRK1
SCHEMBL7968871 0.74 CYP1A2 (0.44) OPRD1OPRM1OPRK1
SCHEMBL7973770 0.73 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL7967710 0.73 OPRD1 (0.55) OPRD1OPRM1OPRK1

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