SCHEMBL25022672

SCHEMBL25022672

BC(B)(Cl)CN(c1ccc(CC(N)C(=O)NC(Cc2ccc(F)cc2)C(=O)OCC)cc1)C(B)(O)CCl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 6/20 0.36
▸ NOS3 P29474 3/20 0.36
▸ NOS1 P29475 3/20 0.36
▸ OPRK1 P41145 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ MC3R P41968 1/20 0.33
▸ MME P08473 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ CPA1 P15085 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ ERAP2 Q6P179 1/20 0.31
▸ LNPEP Q9UIQ6 1/20 0.31

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
SCHEMBL25021945 0.92 NOS2 (0.35) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL25021304 0.88 NOS2 (0.37) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL24100557 0.85 LMNA (0.44) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL25021253 0.84 LMNA (0.38) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL24506989 0.84 NOS2 (0.37) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL24100754 0.84 LMNA (0.38) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL24101173 0.82 MC4R (0.38) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL24101006 0.82 MC4R (0.38) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL25021254 0.81 NOS2 (0.35) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL25021306 0.81 MC4R (0.35) NOS2NOS3NOS1OPRK1EPHX2

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-3866931-B1 COMPOUNDS CONTAINING DEUTERIUM ONCOPEPTIDES AB (SE) 2023-02-15 — — EP disclosed
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