SCHEMBL4041667

SCHEMBL4041667

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1)Oc1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.38
GPR132 Q9UNW8 1/20 0.38
CTSV O60911 2/20 0.37
CTSL P07711 2/20 0.37
CTSS P25774 2/20 0.37
C3AR1 Q16581 2/20 0.37
F12 P00748 2/20 0.33
CPB2 Q96IY4 1/20 0.33
CTSK P43235 2/20 0.33
CYP3A4 P08684 1/20 0.33
FPR2 P25090 1/20 0.32
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMA1 P25786 1/20 0.32
PSMA2 P25787 1/20 0.32
PSMA3 P25788 1/20 0.32
PSMA4 P25789 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB9 P28065 1/20 0.32

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
SCHEMBL4049343 0.90 CTSK (0.43) CTSLCTSSC3AR1CTSKCHRNA7
SCHEMBL4048509 0.89 CTSK (0.38) C3AR1CTSKHRH3CHRNA7
SCHEMBL4045728 0.89 CTSK (0.35) GPR132C3AR1CTSKHRH3CHRNA7
SCHEMBL4044772 0.88 CTSV (0.39) HTRA1GPR132CTSVCTSLCTSS
SCHEMBL4045926 0.87 GPR132 (0.36) HTRA1GPR132CTSVCTSLCTSS
SCHEMBL4045088 0.85 CTSS (0.37) HTRA1GPR132CTSVCTSLCTSS
SCHEMBL4046543 0.85 KCNQ1 (0.38) HTRA1GPR132CTSVCTSLCTSS
SCHEMBL4051046 0.83 CTSV (0.39) HTRA1GPR132CTSVCTSLCTSS
SCHEMBL4041473 0.83 CTSS (0.41) HTRA1CTSVCTSLCTSSF12
SCHEMBL4051435 0.82 HTRA1 (0.33) HTRA1GPR132CTSVCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007752-A4 BENZOIMIDAZOL-2-YL PYRIMIDINES AND PYRAZINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP disclosed
EP-2007752-A2 BENZOIMIDAZOL-2-YL PYRIMIDINES AND PYRAZINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-31 EP disclosed
WO-2007117399-A2 BENZOIMIDAZOL-2-YL PYRIMIDINES AND PYRAZINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 WO disclosed