SCHEMBL9737737

SCHEMBL9737737

CCn1nc(CC2CCCCC2)nc1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 6/20 0.42
FOLH1 Q04609 1/20 0.41
AGTR1 P30556 6/20 0.38
AGTR2 P50052 5/20 0.38
MME P08473 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
CYP46A1 Q9Y6A2 1/20 0.36

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
SCHEMBL9553248 0.90 BRS3 (0.51) BRS3AGTR1AGTR2MMELTB4R2
SCHEMBL9738654 0.86 FOLH1 (0.42) BRS3FOLH1AGTR1AGTR2LTB4R
SCHEMBL9552037 0.85 AGTR1 (0.49) FOLH1AGTR1AGTR2LTB4RLTB4R2
SCHEMBL9741307 0.84 AGTR1 (0.51) AGTR1AGTR2MME
SCHEMBL9552792 0.83 LTB4R (0.47) BRS3FOLH1AGTR1AGTR2LTB4R
SCHEMBL9552249 0.82 BRS3 (0.49) BRS3AGTR1AGTR2MMELTB4R2
SCHEMBL9553102 0.81 BRS3 (0.52) BRS3AGTR1AGTR2LTB4R2
SCHEMBL9552127 0.81 AGTR1 (0.54) BRS3AGTR1AGTR2MMELTB4R2
SCHEMBL9553316 0.81 FOLH1 (0.49) FOLH1AGTR1AGTR2LTB4RLTB4R2
SCHEMBL9532242 0.80 BRS3 (0.41) BRS3FOLH1AGTR1AGTR2MME

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-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed