SCHEMBL9687826

SCHEMBL9687826

OC1=Nc2[c]cccc2CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32

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
SCHEMBL1162910 0.69
SCHEMBL9013546 0.69
SCHEMBL2127063 0.67 NOS3 (0.57) ORAI1ORAI2ORAI3
SCHEMBL1273374 0.67 TSHR (0.36)
SCHEMBL2879492 0.65 TSHR (0.35) ORAI1ORAI2ORAI3
SCHEMBL34907 0.63
SCHEMBL17100617 0.63
SCHEMBL27177616 0.57 CES1 (0.37)
SCHEMBL2885325 0.57 TSHR (0.50)
SCHEMBL338538 0.56 CES1 (0.45)

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-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed