SCHEMBL9558128

SCHEMBL9558128

[CH2]N1CCN(c2ccncn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SORD Q00796 2/20 0.55
AKT1 P31749 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
ROCK1 Q13464 1/20 0.44
DRD4 P21917 1/20 0.44
PARP1 P09874 3/20 0.41
RIPK1 Q13546 1/20 0.40
GRM1 Q13255 1/20 0.39
LSS P48449 1/20 0.39
CHRM1 P11229 1/20 0.39
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL9767811 0.90
SCHEMBL30775404 0.82 SORD (0.56) SORDAKT1GPR119ROCK1DRD4
SCHEMBL4453478 0.82 SORD (0.56) SORDAKT1GPR119ROCK1DRD4
SCHEMBL9558132 0.81 SORD (0.55) SORDGPR119
SCHEMBL9557394 0.80 SORD (0.55) SORDAKT1GPR119ROCK1DRD4
SCHEMBL29611181 0.80 SORD (0.54) SORDAKT1GPR119ROCK1DRD4
SCHEMBL209842 0.80 SORD (0.54) SORDAKT1GPR119ROCK1DRD4
SCHEMBL209844 0.80 SORD (0.54) SORDAKT1GPR119ROCK1DRD4
SCHEMBL5758520 0.79 SORD (0.54) SORDAKT1GPR119ROCK1PARP1
SCHEMBL2224541 0.78 SORD (0.53) SORDAKT1GPR119ROCK1DRD4

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
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 US disclosed