SCHEMBL7063308

SCHEMBL7063308

COC(=O)c1cc(COCC2CCNCC2)cc(-c2cccc(C(=N)N)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.40
F10 P00742 9/20 0.39
F2 P00734 6/20 0.39
PRSS1 P07477 5/20 0.39
ROCK2 O75116 1/20 0.39
PLG P00747 2/20 0.38
SMYD3 Q9H7B4 1/20 0.38
PLAU P00749 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL7035425 0.89 PRSS1 (0.40) CHRM3F10F2PRSS1PLG
SCHEMBL7039059 0.86 F10 (0.50) F10F2PRSS1PLGPLAU
SCHEMBL6751721 0.86 PLAU (0.41) CHRM3ROCK2PLAU
SCHEMBL6130341 0.86 CHRM3 (0.42) CHRM3F10F2PRSS1ROCK2
SCHEMBL7039793 0.85 HRH3 (0.43) F10F2PRSS1PLGPLAU
Hydrochloric Acid SCHEMBL6316344 0.85 CHRM3 (0.42) CHRM3F10F2PRSS1ROCK2
SCHEMBL8394463 0.81 ROCK2 (0.42) F10F2PRSS1ROCK2
SCHEMBL7659032 0.81 PRSS1 (0.49) F10F2PRSS1PLGLOXL2
SCHEMBL7667899 0.78 LOXL2 (0.56) F10F2PRSS1PLGLOXL2
SCHEMBL7662102 0.77 F10 (0.46) F10F2PRSS1PLGLOXL2

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
EP-1043310-B1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LTD (JP) 2004-06-09 EP disclosed