SCHEMBL10399400

SCHEMBL10399400

O=C(C=CC=C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)NCCCCc1cccnc1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 20/20 0.88

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
SCHEMBL10399343 1.00 PTAFR (0.88) PTAFR
Water SCHEMBL9522909 0.99 PTAFR (0.86) PTAFR
SCHEMBL9520848 0.94 PTAFR (1.00) PTAFR
SCHEMBL9520861 0.94 PTAFR (1.00) PTAFR
SCHEMBL10398641 0.94 PTAFR (1.00) PTAFR
SCHEMBL10399229 0.89 PTAFR (1.00) PTAFR
SCHEMBL9520309 0.89 PTAFR (1.00) PTAFR
SCHEMBL10398860 0.89 PTAFR (1.00) PTAFR
SCHEMBL10398293 0.89 PTAFR (1.00) PTAFR
SCHEMBL10399230 0.89 PTAFR (1.00) PTAFR

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
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed