SCHEMBL8943255

SCHEMBL8943255

CCCc1nc2c(Cl)cc(N(C)C(N)=NC#N)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.62
AGTR1 P30556 3/20 0.54
AGTR2 P50052 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ABCC3 O15438 1/20 0.54
ABCC4 O15439 1/20 0.54
USP2 O75604 1/20 0.54
ABCB11 O95342 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
CYP2C9 P11712 1/20 0.54
ACE P12821 1/20 0.54
ADRA2C P18825 1/20 0.54
TBXA2R P21731 1/20 0.54
GLRA1 P23415 1/20 0.54
PDE4A P27815 1/20 0.54

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
SCHEMBL8942729 0.93 PPARG (0.62) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL8943020 0.92 PPARG (0.51) PPARGAGTR1AGTR2
SCHEMBL8942684 0.85 PPARG (0.42) PPARGAGTR1AGTR2
SCHEMBL8942896 0.85 AGTR1 (0.56) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL8942863 0.83 AGTR1 (0.50) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL8943251 0.81 AGTR1 (0.65) PPARGAGTR1AGTR2
SCHEMBL8943248 0.81 AGTR1 (0.65) PPARGAGTR1AGTR2
SCHEMBL8942845 0.81 PPARG (0.62) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL7309915 0.79 PPARG (0.62) PPARGAGTR1AGTR2
SCHEMBL8848308 0.78 PPARG (0.69) PPARGAGTR1AGTR2KDM4EABCC3

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-5521177-A ANGIOTENSIN ANTAGONIST FOR CARDIOVASCULAR DISORDERS SUCH AS ISCHEMIA OR CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS COGNITIVE FUNCTIONS, DEPRESSION, ALZHEIMER'S DISEASE OR PARKINSON'S SYNDROME DR. KARL THOMAE GMBH (DE) 1996-05-28 US disclosed