SCHEMBL7398441

SCHEMBL7398441

Cc1cc(C(=O)Nc2ccc(CN3CCCC3)cc2)n(-c2cccc(C(=N)N)c2)n1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.69
F2 P00734 12/20 0.69
PRSS1 P07477 11/20 0.69
PRSS2 P07478 11/20 0.69
PRSS3 P35030 11/20 0.69
F9 P00740 2/20 0.62
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL3836066 0.85 F10 (0.77) F10F2PRSS1PRSS2PRSS3
SCHEMBL3829612 0.85 F10 (0.70) F10F2PRSS1PRSS2PRSS3
SCHEMBL7230488 0.82 F2 (0.67) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830187 0.82 F10 (0.72) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830234 0.81 F10 (0.74) F10F2PRSS1PRSS2PRSS3
SCHEMBL3829898 0.81 F10 (0.77) F10F2PRSS1PRSS2PRSS3
SCHEMBL3836073 0.81 F10 (0.70) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831575 0.81 F10 (0.63) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831605 0.81 F10 (0.76) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831563 0.81 F10 (0.75) F10F2PRSS1PRSS2PRSS3

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-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US claimed