SCHEMBL22248308

SCHEMBL22248308

NC1C2CN(Cc3ccc(-n4ccc(NC(=O)N5CCNCC5)nc4=O)cc3Cl)CC12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.34
POLB P06746 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MAPK8 P45983 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
USP25 Q9UHP3 1/20 0.31
ROCK2 O75116 2/20 0.31
EPHX2 P34913 1/20 0.31
DDR1 Q08345 1/20 0.31
MC4R P32245 1/20 0.30
MC5R P33032 1/20 0.30
MC3R P41968 1/20 0.30
MC1R Q01726 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL22235550 0.90 DPP4 (0.33) FAAHPOLBUSP25
SCHEMBL22254963 0.89 FAAH (0.35) FAAHHTR2CHTR2BMAPK8SIGMAR1
SCHEMBL22248329 0.88 ROCK2 (0.38) FAAHPOLBROCK2CA12CA1
SCHEMBL22248341 0.88 ROCK2 (0.38) FAAHPOLBROCK2CA12CA1
SCHEMBL22235671 0.88 ROCK2 (0.38) FAAHPOLBROCK2CA12CA1
SCHEMBL22248311 0.88 ROCK2 (0.38) FAAHPOLBROCK2CA12CA1
SCHEMBL22249150 0.88 ROCK2 (0.38) FAAHPOLBROCK2CA12CA1
SCHEMBL22249136 0.88 AOC3 (0.37) FAAHDDR1
SCHEMBL22249126 0.88 AOC3 (0.37) FAAHDDR1
SCHEMBL22248869 0.87 FAAH (0.34) FAAHPOLBEPHX2CA12CA1

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