Sugi Predict

Sugi Predict / Compounds / SCHEMBL22101935

SCHEMBL22101935

SCHEMBL22101935

CN(C)C1(c2ccccc2)CCC1

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 18/20 0.82
▸ OPRM1 P35372 15/20 0.82
▸ OPRK1 P41145 5/20 0.82

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
SCHEMBL2782210 0.93 OPRL1 (0.78) OPRL1OPRM1OPRK1
SCHEMBL3413521 0.90 OPRL1 (1.00) OPRL1OPRM1OPRK1
Bicarbonate SCHEMBL5156531 0.86 OPRL1 (0.67) OPRL1OPRM1OPRK1
Bicarbonate SCHEMBL5162054 0.84 OPRL1 (0.64) OPRL1OPRM1OPRK1
SCHEMBL6249783 0.82 OPRL1 (0.75) OPRL1OPRM1OPRK1
SCHEMBL13695532 0.80 OPRL1 (0.79) OPRL1OPRM1OPRK1
SCHEMBL2834926 0.80 OPRM1 (0.72) OPRL1OPRM1OPRK1
SCHEMBL8352749 0.79 OPRL1 (0.58) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL2331328 0.79 OPRL1 (0.69) OPRL1OPRM1OPRK1
SCHEMBL22540247 0.79 OPRL1 (0.69) OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020120606-A1 NEW PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-18 — — WO disclosed
WO-2020120539-A1 NEW PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-18 — — WO disclosed