SCHEMBL22249121

SCHEMBL22249121

NC12CC1CCN(CCc1ccc(-n3ccc(NC(=O)N4CCNCC4)nc3=O)cc1F)C2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.32
HTR2B P41595 1/20 0.32
GRIN2B Q13224 2/20 0.32
USP28 Q96RU2 1/20 0.32
USP25 Q9UHP3 1/20 0.32
HTR2A P28223 3/20 0.31
DRD2 P14416 1/20 0.30
KCNH2 Q12809 1/20 0.30
F10 P00742 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
SCHEMBL22249135 0.91 AOC3 (0.37)
SCHEMBL22249030 0.89 HTR2A (0.31) HTR2CGRIN2BHTR2A
Hydrochloric Acid SCHEMBL30276414 0.88 HTR2A (0.31) HTR2CGRIN2BHTR2A
Hydrochloric Acid SCHEMBL22236121 0.88 HTR2A (0.31) HTR2CGRIN2BHTR2A
SCHEMBL22248302 0.85 F10 (0.32) HTR2CHTR2BUSP28USP25F10
SCHEMBL22254508 0.84 HTR2C (0.33) HTR2CHTR2BUSP28USP25HTR2A
SCHEMBL22248727 0.81
SCHEMBL22248480 0.80 TRPV1 (0.32)
Hydrochloric Acid SCHEMBL22235543 0.80
Hydrochloric Acid SCHEMBL30276424 0.80

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