SCHEMBL4189295

SCHEMBL4189295

[CH2]C1CCN(c2nc(C)nc3c2c(C)cn3-c2c(C)cc(Br)cc2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.37
FPR3 P25089 2/20 0.36
TSPO P30536 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
MAP2K7 O14733 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
SCHEMBL4189300 0.90 HTT (0.38) CRHR1FPR3TSPOTMEM97SMN1; SMN2
SCHEMBL5138650 0.88 CRHR1 (0.36) CRHR1FPR3TSPOTMEM97
SCHEMBL27613752 0.87 CRHR1 (0.37) CRHR1FPR3TSPOTMEM97
SCHEMBL12593337 0.87 CRHR1 (0.39) CRHR1FPR3TSPOTMEM97SMN1; SMN2
SCHEMBL27613714 0.87 CRHR1 (0.37) CRHR1FPR3TSPOTMEM97
SCHEMBL13890556 0.86 CRHR1 (0.35) CRHR1FPR3TSPOTMEM97MAP2K7
SCHEMBL12534767 0.86 CRHR1 (0.35) CRHR1FPR3TSPOTMEM97
SCHEMBL29482249 0.86 MAP2K7 (0.45) CRHR1FPR3TSPOTMEM97SMN1; SMN2
SCHEMBL1636914 0.86 CRHR1 (0.35) CRHR1FPR3TSPOTMEM97SMN1; SMN2
SCHEMBL1039739 0.86 MAP2K7 (0.45) CRHR1FPR3TSPOTMEM97SMN1; SMN2

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 claimed