SCHEMBL21101197

SCHEMBL21101197

C=C(N(C)CC1(C(=O)OC)CCNCC1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL21963896 0.73 OPRM1 (0.36) OPRM1CYP4F2CYP4A11
SCHEMBL12965877 0.71 SMYD3 (0.36) OPRM1CYP4F2CYP4A11
SCHEMBL16310454 0.69 OPRM1 (0.42) OPRM1CYP4F2CYP4A11
SCHEMBL4294309 0.69 CYP4F2 (0.43) OPRM1CYP4F2CYP4A11
SCHEMBL2470075 0.69 OPRM1 (0.35) OPRM1CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL23727034 0.68 OPRM1 (0.41) OPRM1CYP4F2CYP4A11
SCHEMBL7370030 0.68 KDM4E (0.40) OPRM1CYP4F2CYP4A11
SCHEMBL17150393 0.68 CYP4F2 (0.39) OPRM1CYP4F2CYP4A11
SCHEMBL1273304 0.67 OPRM1 (0.36) OPRM1CYP4F2CYP4A11
SCHEMBL26667104 0.66 TP53 (0.38) OPRM1CYP4F2CYP4A11

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
EP-2688568-B1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-06-19 EP disclosed