SCHEMBL8092930

SCHEMBL8092930

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1c(N)cc[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 14/20 0.49
AGTR1 P30556 8/20 0.44
ABCB11 O95342 1/20 0.40
GP6 Q9HCN6 1/20 0.40

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
SCHEMBL8092937 0.84 AGTR1 (0.40) AGTR1
SCHEMBL18425480 0.82 LTB4R2 (0.69) LTB4R2AGTR1
SCHEMBL9486277 0.79 LTB4R2 (0.44) LTB4R2AGTR1
SCHEMBL8260354 0.79 LTB4R2 (0.52) LTB4R2AGTR1ABCB11GP6
SCHEMBL443818 0.78 LTB4R2 (0.59) LTB4R2AGTR1
SCHEMBL443650 0.78 LTB4R2 (0.65) LTB4R2AGTR1
SCHEMBL684200 0.78 LTB4R2 (0.50) LTB4R2AGTR1ABCB11GP6
SCHEMBL28463355 0.78 LTB4R2 (0.51) LTB4R2AGTR1ABCB11GP6
SCHEMBL2969136 0.77 AGTR1 (0.58) LTB4R2AGTR1ABCB11GP6
SCHEMBL2969141 0.77 AGTR1 (0.54) LTB4R2AGTR1ABCB11GP6

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-6037349-A HAVING ANTAGONISTIC PROPERTIES TOWARDS ANGIOTENSIN II CAN BE USED FOR THE TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GMBH (DE) 2000-03-14 US disclosed