SCHEMBL9434830

SCHEMBL9434830

CCCc1nc2ccccc2n1Cc1ccc(C2(C(=O)O)CCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.66
AGTR2 P50052 6/20 0.66
PPARG P37231 8/20 0.62
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL9192299 0.80 AGTR1 (1.00) AGTR1AGTR2PPARGPOLB
SCHEMBL9118635 0.78 PPARG (0.69) AGTR1AGTR2PPARG
SCHEMBL9119861 0.76 AGTR1 (0.64) AGTR1AGTR2PPARGPOLBLMNA
SCHEMBL9089333 0.75 AGTR1 (0.61) AGTR1AGTR2PPARG
SCHEMBL9201172 0.75 DRD2 (0.78) AGTR1AGTR2PPARGPOLBMAPT
SCHEMBL8396958 0.74 PPARG (1.00) AGTR1AGTR2PPARG
SCHEMBL9123025 0.73 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL9120627 0.73 PPARG (0.60) AGTR1AGTR2PPARG
SCHEMBL9685819 0.73 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9041506 0.72 PPARG (0.73) AGTR1AGTR2PPARG

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
WO-1994011365-A1 SUBSTITUTED BENZIMIDAZOLES AND QUINAZOLINES AS ANTIHYPERTENSIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1994-05-26 WO claimed