SCHEMBL5225729

SCHEMBL5225729

Cc1noc(C)c1-c1c(CN2CCC(O)C2)cnn1-c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.38
F2 P00734 9/20 0.38
CTRB1 P17538 1/20 0.37
ROCK2 O75116 1/20 0.37
HTR2C P28335 2/20 0.37
MCHR1 Q99705 2/20 0.37
PIK3CD O00329 1/20 0.37
SMO Q99835 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL5223624 0.85 SMO (0.41) PIK3CDSMO
SCHEMBL5224153 0.85 BRD4 (0.44) PIK3CDSMO
SCHEMBL5228017 0.84 SMO (0.39) ROCK2PIK3CDSMO
SCHEMBL2001554 0.82 SMO (0.50) F10F2ROCK2HTR2CMCHR1
SCHEMBL5228292 0.82 SMO (0.37) F10F2ROCK2HTR2CMCHR1
SCHEMBL5224144 0.80 HTR2C (0.38) F10F2ROCK2HTR2CMCHR1
SCHEMBL5227619 0.78 F10 (0.42) F10F2HTR2CMCHR1
SCHEMBL5225124 0.78 PIK3CD (0.42) PIK3CD
SCHEMBL5228024 0.77 HTR2C (0.42) ROCK2HTR2CMCHR1SMO
SCHEMBL5227214 0.77 SMO (0.52) F10F2ROCK2SMO

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-1611122-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-13 EP disclosed