SCHEMBL23889037

SCHEMBL23889037

CC(=O)c1cnn2c(C3CC3)c(OCCC(F)(F)F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.41
▸ PLAT P00750 1/20 0.39

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
SCHEMBL19128592 0.90 ROCK2 (0.41) ROCK2PLAT
SCHEMBL21947213 0.89 PLAT (0.39) ROCK2PLAT
SCHEMBL19127952 0.89 SPR (0.43) ROCK2PLAT
SCHEMBL21947357 0.89 ROCK2 (0.41) ROCK2
SCHEMBL20646828 0.89 ROCK2 (0.40) ROCK2PLAT
SCHEMBL24247767 0.86 PLAT (0.41) ROCK2PLAT
SCHEMBL17454370 0.82 ROCK2 (0.55) ROCK2
SCHEMBL19150308 0.81 ROCK2 (0.33) ROCK2PLAT
SCHEMBL23889040 0.81 SLC6A9 (0.35) ROCK2PLAT
SCHEMBL17454424 0.79 MAPT (0.46) ROCK2PLAT

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 2 patents. 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
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 — — EP disclosed
Send feedback