SCHEMBL9053680

SCHEMBL9053680

O=C(O)CCC1CCC(c2nc(-c3cc4c(cc3C(F)(F)F)CCNCC4)cs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 2/20 0.35
NTRK1 P04629 1/20 0.34
HPGDS O60760 1/20 0.33
ACP1 P24666 5/20 0.33
ACHE P22303 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
AOC3 Q16853 1/20 0.32
CYP3A4 P08684 1/20 0.32
TACR1 P25103 1/20 0.32
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
FAAH O00519 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9053677 1.00 BAZ2A (0.35) BAZ2ANTRK1HPGDSACP1ACHE
SCHEMBL9054357 0.89 FFAR4 (0.36) BAZ2ANTRK1HPGDSACHEFFAR4
SCHEMBL9054364 0.89 FFAR4 (0.36) BAZ2ANTRK1HPGDSACHEFFAR4
SCHEMBL9055234 0.88 NTRK1 (0.35) NTRK1FFAR4CYP3A4TACR1FAAH
SCHEMBL9055226 0.88 NTRK1 (0.35) NTRK1FFAR4CYP3A4TACR1FAAH
SCHEMBL9055358 0.88 HPGDS (0.36) BAZ2AHPGDSACHEFFAR4AOC3
SCHEMBL9055350 0.88 HPGDS (0.36) BAZ2AHPGDSACHEFFAR4AOC3
SCHEMBL9057063 0.87 BAZ2A (0.36) BAZ2AHPGDSACHEFFAR4AOC3
SCHEMBL9054080 0.87 BAZ2A (0.39) BAZ2AHPGDSACHEFFAR4AOC3
SCHEMBL9054087 0.87 BAZ2A (0.39) BAZ2AHPGDSACHEFFAR4AOC3

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-1996004271-A1 CONDENSED AZEPINE DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS AND METHODS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-02-15 WO disclosed