SCHEMBL9309735

SCHEMBL9309735

CCCc1nc(CC)nc(O)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
ESR2 Q92731 1/20 0.42
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
APLNR P35414 1/20 0.38
ACHE P22303 1/20 0.37
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL9311025 0.95 PPARG (0.49) PPARGESR2AGTR1AGTR2APLNR
SCHEMBL9846092 0.94 PPARG (0.45) PPARGESR2AGTR1AGTR2APLNR
SCHEMBL9308255 0.90 PPARG (0.46) PPARGESR2AGTR1AGTR2APLNR
SCHEMBL9846024 0.90 PPARG (0.47) PPARGESR2AGTR1AGTR2APLNR
SCHEMBL9846039 0.88 PPARG (0.45) PPARGESR2AGTR1AGTR2APLNR
SCHEMBL9307715 0.88 PPARG (0.49) PPARGESR2AGTR1AGTR2
SCHEMBL9309819 0.87 PPARG (0.48) PPARGESR2AGTR1AGTR2ACHE
SCHEMBL8312740 0.87 PPARG (0.48) PPARGESR2AGTR1AGTR2
SCHEMBL7308446 0.85 PPARG (0.47) PPARGESR2AGTR1AGTR2APLNR
SCHEMBL9308516 0.85 PPARG (0.44) PPARGAGTR1AGTR2ACHE

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-5358950-A Useful in treatment of cardiovascular diseases LABORATOIRES UPSA (FR) 1994-10-25 US disclosed