SCHEMBL13890692

SCHEMBL13890692

Bc1cc(C)c(-n2cc(C)c3c(N4CCC(C#N)C4)nc(C)nc32)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.33
FPR3 P25089 2/20 0.33
TSPO P30536 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33
CHRM3 P20309 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL1637158 0.90 CRHR1 (0.33) CRHR1FPR3TSPOTMEM97CHRM3
SCHEMBL1638186 0.86 CRHR1 (0.39) CRHR1FPR3TSPOTMEM97CHRM3
SCHEMBL1637789 0.84 CHRM3 (0.34) CRHR1FPR3TSPOTMEM97CHRM3
SCHEMBL1636914 0.83 CRHR1 (0.35) CRHR1FPR3TSPOTMEM97
SCHEMBL12561340 0.83 CRHR1 (0.35) CRHR1FPR3TSPOTMEM97
SCHEMBL13890685 0.82 CRHR1 (0.34) CRHR1FPR3TSPOTMEM97
SCHEMBL1637882 0.80 CRHR1 (0.33) CRHR1FPR3TSPOTMEM97CHRM3
SCHEMBL14277113 0.79 MAP2K7 (0.45) CRHR1FPR3TSPOTMEM97CHRM3
SCHEMBL13890659 0.78 KHK (0.42) CRHR1FPR3TSPOTMEM97
SCHEMBL28757332 0.78 MAP2K7 (0.33) CHRM3PDE4APDE4BPDE4CPDE4D

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
EP-1787992-B1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-29 EP disclosed