SCHEMBL9543099

SCHEMBL9543099

CCCCc1ncc(C[C@@]2(S)NC=CC=C2C(=O)O)n1Cc1ccc(C(=O)O)cc1.COC(=O)c1cccnc1S

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.48

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
SCHEMBL8435148 0.91 AGTR1 (0.42) AGTR1
SCHEMBL8433775 0.88 AGTR1 (0.55) AGTR1
SCHEMBL9543106 0.79 AGTR1 (0.53) AGTR1
SCHEMBL8435150 0.71 AGTR1 (0.45) AGTR1
SCHEMBL8433776 0.69 AGTR1 (0.58) AGTR1
SCHEMBL5547472 0.68 AGTR1 (0.72) AGTR1
SCHEMBL8439181 0.67 AGTR1 (0.60) AGTR1
SCHEMBL7890351 0.67 AGTR1 (0.60) AGTR1
SCHEMBL27403217 0.67 AGTR1 (0.55) AGTR1
SCHEMBL7941443 0.67 AGTR1 (0.68) AGTR1

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-1993006828-A1 MEDICAMENT FOR THE TREATMENT OF ANXIETY SMITHKLINE BEECHAM CORPORATION (US) 1993-04-15 WO disclosed