SCHEMBL22249124

SCHEMBL22249124

O=C(Nc1ccn(-c2ccc(CN3C[C@H]4CNC[C@H]4C3)cc2)c(=O)n1)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ FAAH O00519 12/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 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
SCHEMBL22249101 0.92 HTR2A (0.34) ROCK2POLBENPP2
SCHEMBL22254840 0.92 ROCK2 (0.38) ROCK2POLBFAAHENPP2PRKAB2
SCHEMBL22249142 0.91 ROCK2 (0.35) ROCK2POLBFAAHENPP2KDM4E
SCHEMBL22254818 0.91 ROCK2 (0.37) ROCK2POLBFAAHKDM4EMAPT
SCHEMBL22248417 0.90 ROCK2 (0.37) ROCK2POLBFAAHENPP2KDM4E
SCHEMBL22254537 0.90 ROCK2 (0.39) ROCK2POLBFAAHENPP2KDM4E
SCHEMBL22248411 0.89 CXCR4 (0.39) POLBFAAHKDM4EMAPT
SCHEMBL22249150 0.88 ROCK2 (0.38) ROCK2POLBFAAHENPP2KDM4E
SCHEMBL22235671 0.88 ROCK2 (0.38) ROCK2POLBFAAHENPP2KDM4E
SCHEMBL22248311 0.88 ROCK2 (0.38) ROCK2POLBFAAHENPP2KDM4E

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
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