SCHEMBL6979053

SCHEMBL6979053

O=C(Cc1ccc(C(F)(F)F)cc1)N(O)C(CN1CCCC1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 19/20 0.78
CYP2D6 P10635 3/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL6979056 1.00 OPRK1 (0.78) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL9510585 0.88 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL5629426 0.88 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL6977531 0.86 OPRK1 (0.63) OPRK1CYP2D6
SCHEMBL6977525 0.86 OPRK1 (0.63) OPRK1CYP2D6
SCHEMBL6975629 0.85 OPRK1 (0.63) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL6975624 0.85 OPRK1 (0.63) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL6974576 0.80 OPRD1 (0.78) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL6974570 0.80 OPRD1 (0.78) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL8073905 0.79 OPRD1 (0.77) OPRK1CYP2D6CYP3A4TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817772-B1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER (US) 2003-01-29 EP claimed
EP-0817772-B1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER (US) 2003-01-29 EP disclosed
US-6110947-A AN ANALGESIC AGENT FOR TREATING STROKE, ABDOMINAL PAIN; AS ANTIINFLAMMATORY, DIURETIC, ANESTHETIC OR NEUROPROTECTIVE AGENTS PFIZER INC. (US) 2000-08-29 US disclosed
WO-1996030339-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1996-10-03 WO disclosed