SCHEMBL22249108

SCHEMBL22249108

NCC1[C@H]2CN(Cc3ccc(-n4ccc(NC(=O)N5CCNCC5)nc4=O)cc3)C[C@@H]12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.37
POLB P06746 1/20 0.34
FAAH O00519 12/20 0.33
ENPP2 Q13822 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32

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
SCHEMBL22249105 1.00 ROCK2 (0.37) ROCK2POLBFAAHENPP2CA12
SCHEMBL22249113 0.95 ROCK2 (0.38) ROCK2POLBFAAHENPP2
SCHEMBL22248292 0.92 DGAT1 (0.33) ROCK2POLBENPP2
SCHEMBL22235671 0.91 ROCK2 (0.38) ROCK2POLBFAAHENPP2CA12
SCHEMBL22249150 0.91 ROCK2 (0.38) ROCK2POLBFAAHENPP2CA12
SCHEMBL22248311 0.91 ROCK2 (0.38) ROCK2POLBFAAHENPP2CA12
SCHEMBL22248329 0.91 ROCK2 (0.38) ROCK2POLBFAAHENPP2CA12
SCHEMBL22254145 0.91 ROCK2 (0.38) ROCK2POLBFAAHENPP2CA12
SCHEMBL22248341 0.91 ROCK2 (0.38) ROCK2POLBFAAHENPP2CA12
SCHEMBL22254537 0.89 ROCK2 (0.39) ROCK2POLBFAAHENPP2CA12

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