SCHEMBL9402012

SCHEMBL9402012

CCc1nc(=O)c2ccccc2n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.61
ACHE P22303 1/20 0.43
RAB9A P51151 1/20 0.42
AGTR1 P30556 3/20 0.42
PDE9A O76083 1/20 0.42
PDE1C Q14123 1/20 0.42
ALOX5AP P20292 1/20 0.41
P2RX4 Q99571 1/20 0.41
DPP4 P27487 1/20 0.41
EDNRA P25101 1/20 0.40
AGTR2 P50052 2/20 0.40

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
SCHEMBL9402036 0.90 PPARG (0.66) PPARGACHEAGTR1AGTR2
SCHEMBL8564506 0.82 PPARG (0.62) PPARGACHERAB9AAGTR1ALOX5AP
SCHEMBL9200503 0.76 PPARG (1.00) PPARGAGTR1EDNRAAGTR2
SCHEMBL4010668 0.76 PPARG (0.63) PPARGACHEAGTR1
SCHEMBL8789971 0.75 PPARG (0.65) PPARGRAB9AAGTR1EDNRAAGTR2
SCHEMBL9543810 0.75 PPARG (0.61) PPARGACHEAGTR1DPP4AGTR2
SCHEMBL8566073 0.74 PPARG (0.61) PPARGRAB9AAGTR1ALOX5APAGTR2
SCHEMBL9197325 0.74 PPARG (0.88) PPARGAGTR1AGTR2
SCHEMBL4013891 0.74 PPARG (0.61) PPARGACHEAGTR1AGTR2
SCHEMBL4011358 0.74 PPARG (0.61) PPARGACHEAGTR1

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-5304565-A Angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US disclosed