SCHEMBL22248283

SCHEMBL22248283

NCC12CC1CN(CCCc1ccc(-n3ccc(NC(=O)N4CCNCC4)nc3=O)cc1)C2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.33
DGAT1 O75907 1/20 0.31
KCNH2 Q12809 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
SCHEMBL22248310 0.96 KCNH2 (0.32) KCNH2
SCHEMBL22249122 0.91 ROCK2 (0.35)
SCHEMBL22248913 0.88 FAAH (0.33) FAAH
Hydrochloric Acid SCHEMBL22235788 0.88 FAAH (0.32) FAAH
SCHEMBL22248414 0.87 ROCK2 (0.33)
SCHEMBL22248302 0.86 F10 (0.32)
SCHEMBL22254109 0.85 FAAH (0.37) FAAHDGAT1KCNH2
SCHEMBL22235557 0.84
SCHEMBL22249258 0.84 MEN1 (0.30)
Hydrochloric Acid SCHEMBL30276469 0.84

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