SCHEMBL9054357

SCHEMBL9054357

O=C(O)CC[C@H]1CC[C@H](c2nc(-c3cc4c(cc3F)CCNCC4)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.36
BAZ2A Q9UIF9 3/20 0.36
HPGDS O60760 1/20 0.34
ACHE P22303 1/20 0.33
AOC3 Q16853 1/20 0.32
ITGB3 P05106 4/20 0.31
ITGA2B P08514 4/20 0.31
CYP3A4 P08684 2/20 0.31
TACR1 P25103 1/20 0.31
DGAT1 O75907 1/20 0.31
NTRK1 P04629 1/20 0.31
ROCK1 Q13464 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
SCHEMBL9054364 1.00 FFAR4 (0.36) FFAR4BAZ2AHPGDSACHEAOC3
SCHEMBL9055350 0.89 HPGDS (0.36) FFAR4BAZ2AHPGDSACHEAOC3
SCHEMBL9055358 0.89 HPGDS (0.36) FFAR4BAZ2AHPGDSACHEAOC3
SCHEMBL9053680 0.89 BAZ2A (0.35) FFAR4BAZ2AHPGDSACHEAOC3
SCHEMBL9053677 0.89 BAZ2A (0.35) FFAR4BAZ2AHPGDSACHEAOC3
SCHEMBL9057063 0.89 BAZ2A (0.36) FFAR4BAZ2AHPGDSACHEAOC3
SCHEMBL9054087 0.89 BAZ2A (0.39) FFAR4BAZ2AHPGDSACHEAOC3
SCHEMBL9056714 0.89 BAZ2A (0.36) FFAR4BAZ2AHPGDSACHEAOC3
SCHEMBL9054080 0.89 BAZ2A (0.39) FFAR4BAZ2AHPGDSACHEAOC3
SCHEMBL9057060 0.89 BAZ2A (0.36) FFAR4BAZ2AHPGDSACHEAOC3

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