SCHEMBL6980794

SCHEMBL6980794

O=C(Nc1ccc2ncccc2c1)C1CC(=NOCc2ccc(Cl)c(Cl)c2)CN1C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.42
PABPC1 P11940 2/20 0.42
CCR3 P51677 4/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
GLP1R P43220 1/20 0.37
OXTR P30559 1/20 0.37

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
SCHEMBL4942208 1.00 CFTR (0.42) CFTRPABPC1CCR3MEN1MAPT
SCHEMBL4942211 1.00 CFTR (0.42) CFTRPABPC1CCR3MEN1MAPT
SCHEMBL6980791 1.00 CFTR (0.42) CFTRPABPC1CCR3MEN1MAPT
SCHEMBL6977679 0.92 CFTR (0.39) CFTRCCR3NPC1RAB9AHTT
SCHEMBL4943441 0.92 CFTR (0.39) CFTRCCR3NPC1RAB9AHTT
SCHEMBL6983329 0.92 CFTR (0.39) CFTRCCR3NPC1RAB9AHTT
SCHEMBL4943448 0.92 CFTR (0.39) CFTRCCR3NPC1RAB9AHTT
SCHEMBL4939957 0.85 STK4 (0.37) CFTRCCR3MEN1MAPTKMT2A
SCHEMBL4939954 0.85 STK4 (0.37) CFTRCCR3MEN1MAPTKMT2A
SCHEMBL4938908 0.84 PABPC1 (0.45) CFTRPABPC1MEN1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP claimed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO claimed