SCHEMBL9832009

SCHEMBL9832009

CC(C#CCn1ccnc1)n1cccc1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.42

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
SCHEMBL12376565 0.81 TBXAS1 (0.44) TBXAS1
SCHEMBL9409678 0.71 TBXAS1 (0.38) TBXAS1
SCHEMBL9028791 0.71 CHRM2 (0.60)
SCHEMBL9029688 0.69 CHRM2 (0.52) TBXAS1
SCHEMBL10910625 0.67
SCHEMBL11904585 0.67 KDM4E (0.46) TBXAS1
SCHEMBL29305017 0.67 TBXAS1 (0.50) TBXAS1
SCHEMBL9031096 0.67 TBXAS1 (0.47) TBXAS1
SCHEMBL7283421 0.66 TBXAS1 (0.54) TBXAS1
SCHEMBL9029776 0.65 TBXAS1 (0.45) TBXAS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426714-A1 ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. UPJOHN CO (US) 1991-05-15 EP claimed
WO-1990001026-A1 ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-02-08 WO claimed