SCHEMBL7815090

SCHEMBL7815090

N=C(N)c1ccc(CCN)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.68
▸ LOXL2 Q9Y4K0 1/20 0.68
▸ PRSS1 P07477 4/20 0.61
▸ PRSS3 P35030 4/20 0.61
▸ PRSS2 P07478 3/20 0.61
▸ PLAU P00749 3/20 0.58
▸ MASP2 O00187 1/20 0.56
▸ THPO P40225 1/20 0.56
▸ ST14 Q9Y5Y6 4/20 0.55
▸ F2 P00734 5/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ ADRA2A P08913 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ HTR3A P46098 1/20 0.54
▸ BACE1 P56817 1/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54

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 SCHEMBL8173513 0.98 F10 (0.65) F10LOXL2PRSS1PRSS3PRSS2
SCHEMBL7818542 0.87 F10 (0.63) F10LOXL2PRSS1PRSS3PRSS2
Hydrochloric Acid SCHEMBL8173497 0.85 F10 (0.61) F10LOXL2PRSS1PRSS3PRSS2
Hydrochloric Acid SCHEMBL10922228 0.84 F10 (0.59) F10LOXL2PRSS1PRSS3PRSS2
Hydrochloric Acid SCHEMBL2331423 0.84 F10 (0.59) F10LOXL2PRSS1PRSS3PRSS2
SCHEMBL17887809 0.83 PRMT1 (0.75) F10PRSS1PRSS3PRSS2PLAU
Hydrochloric Acid SCHEMBL10925118 0.83 LOXL2 (0.83) F10LOXL2PRSS1PRSS3PRSS2
SCHEMBL20610488 0.82 PRSS1 (0.68) F10LOXL2PRSS1PRSS3PRSS2
SCHEMBL49594 0.81 LOXL2 (1.00) F10LOXL2PRSS1PRSS3PRSS2
SCHEMBL8420366 0.80 PRSS1 (0.59) F10LOXL2PRSS1PRSS3PRSS2

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-3466961-A1 PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF Li, Min (US) 2019-04-10 — — EP disclosed
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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