SCHEMBL23316769

SCHEMBL23316769

CN(CC1(N(C=O)CC2CC2)CC(c2cccc(F)c2)(N(C)C)C1)c1ccc(OC(F)(F)F)cn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 19/20 0.53
▸ OPRM1 P35372 18/20 0.53
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL23316767 0.80 OPRL1 (0.50) OPRL1OPRM1
SCHEMBL20653804 0.75 OPRM1 (0.49) OPRL1OPRM1
SCHEMBL20653758 0.74 OPRM1 (0.54) OPRL1OPRM1
SCHEMBL23316817 0.72 OPRM1 (0.49) OPRL1OPRM1
SCHEMBL23316802 0.72 OPRM1 (0.50) OPRL1OPRM1
SCHEMBL23316654 0.72 OPRM1 (0.50) OPRL1OPRM1
SCHEMBL23316671 0.72 OPRM1 (0.49) OPRL1OPRM1
SCHEMBL20647581 0.69 OPRL1 (1.00) OPRL1OPRM1
SCHEMBL20640218 0.69 OPRL1 (1.00) OPRL1OPRM1
SCHEMBL20653757 0.66 OPRM1 (0.43) OPRL1OPRM1

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-3652157-B1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUENENTHAL GMBH (DE) 2021-05-05 — — EP disclosed
Send feedback