SCHEMBL22112018

SCHEMBL22112018

CN(C)C1(c2ccccc2)CCC(c2cccc(OCc3ccccc3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.56
OPRM1 P35372 11/20 0.56
KCNH2 Q12809 1/20 0.47
KDM1A O60341 3/20 0.46
OPRK1 P41145 2/20 0.45
MAOB P27338 1/20 0.45
BCHE P06276 1/20 0.42

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
SCHEMBL6583019 0.82 MAOB (0.56) KCNH2KDM1AMAOBBCHE
SCHEMBL6588487 0.79 SPHK1 (0.55) KCNH2KDM1AMAOBBCHE
SCHEMBL6583023 0.79 SPHK1 (0.58) KCNH2KDM1AMAOBBCHE
SCHEMBL11075825 0.79 OPRM1 (0.51) OPRL1OPRM1KDM1AMAOBBCHE
SCHEMBL22091656 0.78 OPRL1 (0.53) OPRL1OPRM1OPRK1
SCHEMBL24460873 0.78 GRIN1 (0.53) KCNH2KDM1AMAOBBCHE
SCHEMBL22091686 0.78 OPRL1 (0.58) OPRL1OPRM1OPRK1MAOB
SCHEMBL12354455 0.78 SPHK1 (0.60) KCNH2KDM1AMAOBBCHE
SCHEMBL11075823 0.77 OPRM1 (0.49) OPRL1OPRM1KDM1AMAOBBCHE
SCHEMBL11070020 0.77 OPRM1 (0.49) OPRL1OPRM1KDM1AMAOBBCHE

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