SCHEMBL24247709

SCHEMBL24247709

C=C(OC)N1CC(Oc2ccc3c(C(=O)OC)cnn3c2)C1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EIF4A3 P38919 1/20 0.37
▸ ROCK2 O75116 12/20 0.36
▸ PDE4B Q07343 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ LCK P06239 1/20 0.32
▸ CSK P41240 1/20 0.32

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
SCHEMBL17437914 0.89 ROCK2 (0.39) EIF4A3ROCK2PDE4BNAMPTSPR
SCHEMBL19127285 0.83 MGLL (0.39) EIF4A3ROCK2PDE4BSPR
SCHEMBL17454359 0.81 ROCK2 (0.40) EIF4A3ROCK2LCKCSK
SCHEMBL23888943 0.80 IRAK4 (0.36) EIF4A3ROCK2PDE4BLCKCSK
SCHEMBL23888960 0.80 NAMPT (0.43) EIF4A3ROCK2NAMPT
SCHEMBL17437924 0.80 ROCK2 (0.42) ROCK2
SCHEMBL17437899 0.80 KAT2B (0.39) ROCK2PDE4B
SCHEMBL17437999 0.79 CYP1A2 (0.37) EIF4A3ROCK2PDE4BSPR
SCHEMBL17437998 0.79 ROCK2 (0.35) EIF4A3ROCK2PDE4BSPR
SCHEMBL17438075 0.78 ROCK2 (0.38) ROCK2

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-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 — — EP disclosed
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