SCHEMBL5138650

SCHEMBL5138650

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

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.36
FPR3 P25089 2/20 0.36
TSPO P30536 2/20 0.36
TMEM97 Q5BJF2 2/20 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
SCHEMBL4189295 0.88 CRHR1 (0.37) CRHR1FPR3TSPOTMEM97
SCHEMBL4189300 0.87 HTT (0.38) CRHR1FPR3TSPOTMEM97
SCHEMBL27613752 0.84 CRHR1 (0.37) CRHR1FPR3TSPOTMEM97
SCHEMBL27613714 0.84 CRHR1 (0.37) CRHR1FPR3TSPOTMEM97
SCHEMBL12593337 0.84 CRHR1 (0.39) CRHR1FPR3TSPOTMEM97
SCHEMBL12534767 0.83 CRHR1 (0.35) CRHR1FPR3TSPOTMEM97
SCHEMBL1039739 0.83 MAP2K7 (0.45) CRHR1FPR3TSPOTMEM97
SCHEMBL29482249 0.83 MAP2K7 (0.45) CRHR1FPR3TSPOTMEM97
SCHEMBL1636914 0.83 CRHR1 (0.35) CRHR1FPR3TSPOTMEM97
Hydrochloric Acid SCHEMBL1637180 0.82 MAP2K7 (0.44) CRHR1FPR3TSPOTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467997-B8 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO LTD (JP) 2008-08-27 EP claimed
EP-1467997-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-20 EP claimed
WO-2004058767-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 WO claimed