SCHEMBL6983329

SCHEMBL6983329

N#Cc1ccc(C(=O)N2C/C(=N/OCc3ccc(Cl)c(Cl)c3)CC2C(=O)Nc2ccc3ncccc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.39
GLP1R P43220 3/20 0.39
CCR3 P51677 10/20 0.38
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ACKR3 P25106 1/20 0.36

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
SCHEMBL4943448 1.00 CFTR (0.39) CFTRGLP1RCCR3NPC1HTT
SCHEMBL6977679 1.00 CFTR (0.39) CFTRGLP1RCCR3NPC1HTT
SCHEMBL4943441 1.00 CFTR (0.39) CFTRGLP1RCCR3NPC1HTT
SCHEMBL6980791 0.92 CFTR (0.42) CFTRGLP1RCCR3NPC1HTT
SCHEMBL6980794 0.92 CFTR (0.42) CFTRGLP1RCCR3NPC1HTT
SCHEMBL4942208 0.92 CFTR (0.42) CFTRGLP1RCCR3NPC1HTT
SCHEMBL4942211 0.92 CFTR (0.42) CFTRGLP1RCCR3NPC1HTT
SCHEMBL4939957 0.81 STK4 (0.37) CFTRCCR3NPC1HTTRAB9A
SCHEMBL4939954 0.81 STK4 (0.37) CFTRCCR3NPC1HTTRAB9A
SCHEMBL5478614 0.79 CFTR (0.42) CFTRCCR3NPC1HTTRAB9A

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-1268419-A1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001072705-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-04 WO disclosed