SCHEMBL7971220

SCHEMBL7971220

COc1cccc([C@@H](c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.58
OPRM1 P35372 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL7971222 1.00 OPRD1 (0.58) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL7958079 0.88 OPRD1 (0.68) OPRD1
SCHEMBL7958084 0.88 OPRD1 (0.68) OPRD1
SCHEMBL7967506 0.85 OPRD1 (0.65) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL7967503 0.85 OPRD1 (0.65) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL7973899 0.83 OPRD1 (0.61) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL7973900 0.83 OPRD1 (0.61) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL7970880 0.83 OPRD1 (0.59) OPRD1CYP1A2CYP3A4
SCHEMBL7970878 0.83 OPRD1 (0.59) OPRD1CYP1A2CYP3A4
SCHEMBL7968469 0.80 OPRD1 (0.63) OPRD1CYP1A2CYP3A4

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