SCHEMBL5776917

SCHEMBL5776917

CCC(CC)N(c1nc(C)cc(N)n1)c1c(C)cc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.41
NOS3 P29474 7/20 0.41
NOS1 P29475 6/20 0.41
CRHR1 P34998 3/20 0.33

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
SCHEMBL5431809 0.76
SCHEMBL6429736 0.70 CRHR1 (0.36) CRHR1
SCHEMBL11407479 0.69 TDP1 (0.46) NOS2NOS3NOS1CRHR1
SCHEMBL6444145 0.68 CRHR1 (0.33) CRHR1
SCHEMBL11481158 0.66 NOS3 (0.48) NOS2NOS3NOS1
SCHEMBL11403187 0.62 SLC29A1 (0.43) NOS2NOS3NOS1
SCHEMBL94111 0.61
SCHEMBL31324837 0.61
Bromide SCHEMBL5755666 0.59 NOS2 (0.95) NOS2NOS3NOS1
SCHEMBL5430796 0.58 CRHR1 (0.49) CRHR1

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-1725562-A1 PYRROLOPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-11-29 EP disclosed
WO-2005085253-A1 PYRROLOPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-09-15 WO disclosed