SCHEMBL9846757

SCHEMBL9846757

CCCCc1ccc2[nH]c(-c3ccccc3C(=O)O)c(Br)c2c1.O=C(O)c1cncn1Cl

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 8/20 0.43
AGTR1 P30556 4/20 0.39
AGTR2 P50052 3/20 0.39

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
SCHEMBL9846721 0.76 AGTR1 (0.64) BRS3AGTR1AGTR2
SCHEMBL9846690 0.74 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL9846718 0.74 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL9846736 0.74 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9846754 0.71 BRS3 (0.38) BRS3
SCHEMBL9846764 0.65 AGTR1 (0.62) BRS3AGTR1AGTR2
SCHEMBL9846750 0.62 AGTR1 (0.48) BRS3AGTR1AGTR2
SCHEMBL27657067 0.62 KAT8 (0.62) BRS3
SCHEMBL3906504 0.62 BRS3 (0.70) BRS3AGTR1AGTR2
SCHEMBL31522707 0.61 GABRP (0.61)

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
EP-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 EP disclosed