SCHEMBL8638896

SCHEMBL8638896

CCCCc1nc(Cl)c(C=O)n1Cc1cc[c]cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.58
AGTR2 P50052 5/20 0.58
GP6 Q9HCN6 1/20 0.57
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL965839 0.88 AGTR1 (0.67) AGTR1AGTR2GP6PDE4APDE4B
SCHEMBL18003201 0.88 AGTR1 (0.61) AGTR1AGTR2GP6
SCHEMBL28517678 0.86 AGTR1 (0.59) AGTR1AGTR2GP6
SCHEMBL4639444 0.86 AGTR1 (0.59) AGTR1AGTR2GP6
SCHEMBL8568897 0.86 AGTR1 (0.59) AGTR1AGTR2GP6
SCHEMBL3872329 0.83 AGTR1 (0.59) AGTR1AGTR2GP6
SCHEMBL7828008 0.83 AGTR1 (0.64) AGTR1AGTR2GP6
SCHEMBL649 0.82 AGTR1 (0.58) AGTR1AGTR2GP6
SCHEMBL1458517 0.82 AGTR1 (0.56) AGTR1AGTR2GP6
SCHEMBL17943651 0.81 AGTR1 (0.62) AGTR1AGTR2GP6

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-5776964-A HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed