SCHEMBL9311340

SCHEMBL9311340

CCCc1nc(Cl)c(Cc2ccc(-c3ccccc3C#N)cc2)c(CCC)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.49
AGTR1 P30556 3/20 0.40
AGTR2 P50052 2/20 0.40
ACHE P22303 1/20 0.39
ESR2 Q92731 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 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
SCHEMBL9309819 0.95 PPARG (0.48) PPARGAGTR1AGTR2ACHEESR2
SCHEMBL1894428 0.90 PPARG (0.50) PPARGAGTR1ACHE
SCHEMBL9309532 0.89 PPARG (0.47) PPARGAGTR1AGTR2ACHE
SCHEMBL9311025 0.87 PPARG (0.49) PPARGAGTR1AGTR2ACHEESR2
SCHEMBL9308512 0.84 PPARG (0.45) PPARGAGTR1AGTR2ACHEESR2
SCHEMBL9309290 0.84 PPARG (0.46) PPARGAGTR1AGTR2ACHE
SCHEMBL9310919 0.83 PPARG (0.47) PPARGAGTR1ACHEESR2
SCHEMBL9846024 0.82 PPARG (0.47) PPARGAGTR1AGTR2ACHEESR2
SCHEMBL9309735 0.82 PPARG (0.48) PPARGAGTR1AGTR2ACHEESR2
SCHEMBL9308516 0.79 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