SCHEMBL6921159

SCHEMBL6921159

Bc1cnccc1C1CCO1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.33
OPRL1 P41146 1/20 0.30

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
SCHEMBL29368373 0.78 OPRL1 (0.44) RPS6KA3OPRL1
SCHEMBL28680491 0.78 OPRL1 (0.44) RPS6KA3OPRL1
SCHEMBL743476 0.78 RPS6KA3 (0.33) RPS6KA3OPRL1
SCHEMBL28680489 0.78 OPRL1 (0.44) RPS6KA3OPRL1
SCHEMBL319870 0.69 AOC3 (0.33) RPS6KA3
SCHEMBL1911019 0.69 AOC3 (0.33) RPS6KA3
SCHEMBL19849321 0.69 AOC3 (0.33) RPS6KA3
SCHEMBL14435392 0.66
SCHEMBL14902619 0.66 AOC1 (0.31)
SCHEMBL14902618 0.66 AOC1 (0.31)

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-2011061168-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO disclosed