SCHEMBL22254236

SCHEMBL22254236

CCN(Cc1ccc(-n2ccc(N)nc2=O)cc1)[C@H]1CCC(N)C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MCHR1 Q99705 1/20 0.30
▸ TRPM8 Q7Z2W7 3/20 0.30

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
SCHEMBL25532137 1.00 ROCK2 (0.38) ROCK2KDM4EALDH1A1MCHR1TRPM8
SCHEMBL25554064 1.00 ROCK2 (0.38) ROCK2KDM4EALDH1A1MCHR1TRPM8
SCHEMBL25532122 0.95 ROCK2 (0.41) ROCK2KDM4EALDH1A1TRPM8
SCHEMBL22254500 0.95 ROCK2 (0.41) ROCK2KDM4EALDH1A1TRPM8
SCHEMBL22254220 0.94 ROCK2 (0.37) ROCK2KDM4EALDH1A1MCHR1
SCHEMBL25532052 0.94 ROCK2 (0.37) ROCK2KDM4EALDH1A1MCHR1
SCHEMBL22254830 0.92 ROCK2 (0.37) ROCK2
SCHEMBL25554777 0.92 ROCK2 (0.37) ROCK2
SCHEMBL22254827 0.90 ROCK2 (0.37) ROCK2
SCHEMBL25532202 0.90 ROCK2 (0.37) 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
WO-2020150385-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 — — WO disclosed
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