SCHEMBL9196115

SCHEMBL9196115

CCCCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.61
AGTR2 P50052 7/20 0.61
TLR7 Q9NYK1 2/20 0.54
DRD2 P14416 2/20 0.53
TBXA2R P21731 2/20 0.53
TLR8 Q9NR97 1/20 0.51
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50

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
SCHEMBL9194299 0.89 AGTR1 (0.76) AGTR1AGTR2CNR1CNR2
SCHEMBL9199291 0.87 AGTR1 (0.79) AGTR1AGTR2TLR7DRD2TBXA2R
SCHEMBL9198925 0.83 AGTR1 (0.78) AGTR1AGTR2TLR7DRD2TBXA2R
SCHEMBL9275378 0.83 AGTR1 (0.78) AGTR1AGTR2TLR7DRD2TBXA2R
SCHEMBL9198766 0.81 AGTR1 (0.79) AGTR1AGTR2TLR7DRD2TBXA2R
SCHEMBL7673045 0.80 AGTR1 (0.60) AGTR1AGTR2TLR7DRD2TBXA2R
SCHEMBL9198105 0.79 AGTR1 (0.78) AGTR1AGTR2TLR7DRD2TBXA2R
SCHEMBL19196886 0.78 TLR7 (0.81) TLR7TLR8
SCHEMBL7987035 0.77 PPARG (0.70) AGTR1AGTR2TLR7DRD2TBXA2R
SCHEMBL27380060 0.77 TLR7 (0.51) AGTR1AGTR2TLR7TLR8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399732-B1 Benzimidazole derivatives ZENECA LTD (GB) 1995-07-26 EP disclosed
US-5171748-A For hypertension, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-15 US disclosed