SCHEMBL7955244

SCHEMBL7955244

COc1ccc(CC(NCC(=O)O)C(=O)N2CCC[C@H]2C(=O)NCc2ccc3ccnc(N)c3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 9/20 0.55
F2 P00734 9/20 0.55
PRSS1 P07477 4/20 0.47
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.43
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
APP P05067 1/20 0.41
FAP Q12884 1/20 0.40
F10 P00742 2/20 0.40
F12 P00748 2/20 0.40
PRSS2 P07478 2/20 0.40
F7 P08709 2/20 0.40
PRSS3 P35030 2/20 0.40
F9 P00740 1/20 0.40

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
SCHEMBL6440392 1.00 F11 (0.55) F11F2PRSS1ALDH1A1PKM
SCHEMBL6440387 1.00 F11 (0.55) F11F2PRSS1ALDH1A1PKM
SCHEMBL6436848 0.94 F11 (0.63) F11F2PRSS1ALDH1A1PKM
SCHEMBL6436846 0.94 F11 (0.63) F11F2PRSS1ALDH1A1PKM
SCHEMBL6438356 0.92 F2 (0.57) F11F2PRSS1ALDH1A1PKM
SCHEMBL7705487 0.92 F2 (0.57) F11F2PRSS1ALDH1A1PKM
SCHEMBL6438351 0.92 F2 (0.57) F11F2PRSS1ALDH1A1PKM
SCHEMBL6438710 0.91 F2 (0.55) F11F2PRSS1F10PRSS2
SCHEMBL6438717 0.91 F2 (0.55) F11F2PRSS1F10PRSS2
SCHEMBL6435295 0.90 F11 (0.56) F11F2PRSS1KLKB1KLK1

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-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed