SCHEMBL7149680

SCHEMBL7149680

COc1ccc(CNC(=O)C(Nc2ccc(C(=N)N)cc2)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC

nearest known ligand 0.93

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.93
PRSS1 P07477 10/20 0.93
F7 P08709 10/20 0.93
F10 P00742 9/20 0.93
PRSS2 P07478 2/20 0.79
F3 P13726 2/20 0.79
PRSS3 P35030 2/20 0.79
MRGPRX1 Q96LB2 6/20 0.66
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL7149694 1.00 F2 (0.93) F2PRSS1F7F10PRSS2
SCHEMBL7149685 1.00 F2 (0.93) F2PRSS1F7F10PRSS2
Acetic Acid SCHEMBL8124533 0.98 F2 (0.90) F2PRSS1F7F10PRSS2
Hydrochloric Acid SCHEMBL7144104 0.96 F7 (0.98) F2PRSS1F7F10PRSS2
Hydrochloric Acid SCHEMBL8122981 0.96 F7 (0.98) F2PRSS1F7F10PRSS2
Hydrochloric Acid SCHEMBL8122977 0.96 F7 (0.98) F2PRSS1F7F10PRSS2
SCHEMBL7145116 0.94 F7 (0.92) F2PRSS1F7F10PRSS2
SCHEMBL7147599 0.94 F7 (0.92) F2PRSS1F7F10PRSS2
SCHEMBL7147596 0.94 F7 (0.92) F2PRSS1F7F10PRSS2
SCHEMBL7147591 0.94 F7 (0.92) F2PRSS1F7F10PRSS2

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-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed