SCHEMBL7818542

SCHEMBL7818542

N=C(N)c1ccc(CCCN)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.63
▸ LOXL2 Q9Y4K0 1/20 0.63
▸ PRSS1 P07477 4/20 0.57
▸ PRSS2 P07478 3/20 0.57
▸ PRSS3 P35030 3/20 0.57
▸ ST14 Q9Y5Y6 4/20 0.51
▸ ITGB3 P05106 1/20 0.49
▸ ITGA2B P08514 1/20 0.49
▸ F2 P00734 4/20 0.48
▸ TMPRSS6 Q8IU80 1/20 0.48
▸ PLAU P00749 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ PLG P00747 1/20 0.47
▸ C1S P09871 1/20 0.47
▸ TMPRSS2 O15393 1/20 0.47
▸ LMNA P02545 1/20 0.46

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
Hydrochloric Acid SCHEMBL8173497 0.98 F10 (0.61) F10LOXL2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL10922228 0.96 F10 (0.59) F10LOXL2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL2331423 0.92 F10 (0.59) F10LOXL2PRSS1PRSS2PRSS3
SCHEMBL7815090 0.87 F10 (0.68) F10LOXL2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8173513 0.85 F10 (0.65) F10LOXL2PRSS1PRSS2PRSS3
SCHEMBL8995527 0.82 PRSS1 (0.55) F10LOXL2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL10622182 0.82 PRSS1 (0.61) F10LOXL2PRSS1PRSS2PRSS3
SCHEMBL12348108 0.80 PRSS1 (0.53) F10LOXL2PRSS1PRSS2PRSS3
SCHEMBL9649899 0.80 ESR1 (0.55) F10LOXL2PRSS1PRSS2PRSS3
SCHEMBL12965227 0.80 PRSS1 (0.59) F10LOXL2PRSS1PRSS2PRSS3

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-0925295-B1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS B2 RECEPTOR ANTAGONISTS OF THE BRADYKININ FOURNIER IND & SANTE (FR) 2001-10-04 — — EP disclosed
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