SCHEMBL22112042

SCHEMBL22112042

C=C1CCC(c2ccc(F)cc2)(N(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.44
OPRL1 P41146 10/20 0.44
OPRK1 P41145 3/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
OGFRL1 Q5TC84 2/20 0.40
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL517788 0.81 OPRM1 (0.44) OPRM1OPRL1OPRK1SLC6A2SLC6A4
SCHEMBL3407429 0.81 OPRL1 (0.69) OPRM1OPRL1OPRK1
SCHEMBL22112097 0.80 OPRM1 (0.49) OPRM1OPRL1OPRK1SLC6A2SLC6A4
SCHEMBL22112518 0.79 SLC6A3 (0.58) OPRM1OPRL1OPRK1SLC6A2SLC6A4
SCHEMBL14534174 0.74 OPRM1 (0.46) OPRM1OPRL1OPRK1SLC6A2SLC6A4
SCHEMBL4697957 0.73 OPRM1 (0.42) OPRM1OPRL1OPRK1OGFRL1
Hydrochloric Acid SCHEMBL2378965 0.72 OPRM1 (0.41) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL13050538 0.70 OPRM1 (0.44) OPRM1OPRL1OPRK1SLC6A2SLC6A4
SCHEMBL12167362 0.70 CYP2D6 (0.45) OPRM1OPRL1OPRK1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL517996 0.70 OPRM1 (0.46) OPRM1OPRL1OPRK1SLC6A2SLC6A4

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
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