SCHEMBL22954489

SCHEMBL22954489

COc1cc(C2(C#N)CCN(Cc3ccccc3)CC2)ccc1N

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.62
OPRL1 P41146 3/20 0.53
PDE4B Q07343 9/20 0.50
PDE4A P27815 8/20 0.50
PDE4C Q08493 8/20 0.50
PDE4D Q08499 8/20 0.50
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL22954488 0.82 OPRM1 (0.56) OPRM1OPRL1PDE4BPDE4APDE4C
SCHEMBL4872137 0.81 OPRM1 (0.70) OPRM1OPRL1SIGMAR1
Hydrochloric Acid SCHEMBL8355555 0.80 OPRM1 (0.68) OPRM1OPRL1SIGMAR1
SCHEMBL3908960 0.79 OPRM1 (0.71) OPRM1OPRL1
SCHEMBL1267136 0.79 OPRM1 (0.63) OPRM1OPRL1SIGMAR1
SCHEMBL476404 0.78 OPRM1 (1.00) OPRM1OPRL1SIGMAR1
SCHEMBL13543973 0.77 OPRL1 (0.79) OPRM1OPRL1SIGMAR1
SCHEMBL21989255 0.77 OPRM1 (0.57) OPRM1OPRL1SIGMAR1
SCHEMBL8350406 0.77 OPRM1 (0.81) OPRM1OPRL1SIGMAR1
Hydrochloric Acid SCHEMBL2473959 0.76 OPRM1 (0.97) OPRM1OPRL1SIGMAR1

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-2021018118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 1 PROTEINS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 WO disclosed