SCHEMBL3239444

SCHEMBL3239444

Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.46
NTMT1 Q9BV86 2/20 0.45
ACE P12821 3/20 0.43
OPRM1 P35372 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
PRSS1 P07477 6/20 0.41
PRSS2 P07478 6/20 0.41
PRSS3 P35030 6/20 0.41
DPP4 P27487 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7053068 0.88 F2 (0.43) F2NTMT1ACEMMP2MMP9
SCHEMBL2226082 0.88 DPP4 (0.46) F2PRSS1PRSS2PRSS3DPP4
SCHEMBL12955380 0.85 DPP4 (0.42) F2PRSS1PRSS2PRSS3DPP4
SCHEMBL9603823 0.85 DPP4 (0.44) F2PRSS1PRSS2PRSS3DPP4
SCHEMBL263537 0.85 PDF (0.46) F2NTMT1MMP2MMP9PRSS1
SCHEMBL29427848 0.85 PDF (0.46) F2NTMT1MMP2MMP9PRSS1
Acetic Acid SCHEMBL16234756 0.84 PDF (0.44) F2NTMT1ACEPRSS1PRSS2
SCHEMBL6712279 0.83 ITGB1 (0.55) TSHR
SCHEMBL29582281 0.82 F2 (0.56) F2NTMT1ACEOPRM1
SCHEMBL14336163 0.82 DPP4 (0.45) F2OPRM1PRSS1PRSS2PRSS3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022235952-A1 METHODS FOR DIAGNOSIS AND TREAMENT OF CHRONIC PROSTATITIS AND/OR CHRONIC PELVIC PAIN SYNDROME NORTHWESTERN UNIVERSITY (US) 2022-11-10 WO disclosed
WO-2010059372-A2 TRYPTASE ENZYME INHIBITING AMINOPYRIDINES HERBALSCIENCE GROUP, LLC (US) 2010-05-27 WO disclosed
WO-2010053902-A2 TRYPTASE ENZYME INHIBITING AMINOTHIOPHENOLS HERBALSCIENCE GROUP, LLC (US) 2010-05-14 WO disclosed
WO-2010009091-A2 ANTI-INFLAMMATORY AND ANTI-ALLERGY EXTRACTS FROM NETTLE HERBALSCIENCE GROUP, LLC (US) 2010-01-21 WO disclosed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP disclosed
EP-1036063-A1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-09-20 EP disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-1999026926-A1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed
WO-1997047299-A1 AMIDINO AND GUANIDINO HETEROCYCLIC PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-12-18 WO disclosed
WO-1995011298-A1 PORPHYROMONAS GINGIVALIS LYSINE-SPECIFIC PROTEINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1995-04-27 WO disclosed