SCHEMBL22248661

SCHEMBL22248661

CC(C)N(C(C)Cc1ccc(-n2ccc(N)nc2=O)cc1)C1CCC(N)CC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.38
▸ MCHR1 Q99705 1/20 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
SCHEMBL25554582 0.89 ROCK2 (0.36) ROCK2MCHR1
SCHEMBL22248657 0.89 ROCK2 (0.36) ROCK2MCHR1
SCHEMBL22254216 0.87 ROCK2 (0.37) ROCK2
SCHEMBL25553293 0.87 ROCK2 (0.37) ROCK2
SCHEMBL22248659 0.85 ROCK2 (0.34) ROCK2
SCHEMBL25532177 0.85 ROCK2 (0.37) ROCK2
SCHEMBL25532170 0.85 ROCK2 (0.37) ROCK2
SCHEMBL22254554 0.85 ROCK2 (0.37) ROCK2
SCHEMBL22254528 0.85 ROCK2 (0.37) ROCK2
SCHEMBL22248698 0.84 ROCK2 (0.36) ROCK2MCHR1

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-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 — — WO disclosed
Send feedback