SCHEMBL22248671

SCHEMBL22248671

Nc1ccn(-c2ccc(CCN3CC4CC(N)(C4)C3)c(C(F)(F)F)c2)c(=O)n1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.34
ADORA1 P30542 1/20 0.34
ROCK2 O75116 4/20 0.33

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
SCHEMBL22248652 0.88 ROCK2 (0.34) ROCK2
SCHEMBL22248369 0.84 MAOB (0.33) MAOBADORA1ROCK2
SCHEMBL22248693 0.83 MAOB (0.36) MAOBADORA1ROCK2
SCHEMBL22249028 0.80 TRPV1 (0.32) MAOBADORA1
SCHEMBL22254240 0.78 ROCK2 (0.39) MAOBADORA1ROCK2
SCHEMBL22248929 0.74 NR1H2 (0.36) ROCK2
SCHEMBL25532120 0.72 NR1H2 (0.41) ROCK2
SCHEMBL22248384 0.72 ROCK2 (0.33) ROCK2
SCHEMBL22248386 0.70 ROCK2 (0.33) ROCK2
SCHEMBL22248962 0.69 ROCK2 (0.31) 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-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed