SCHEMBL12466686

SCHEMBL12466686

N=C(N)c1ccc(CNC(=O)N2CCCCC2Cc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.66
HRH3 Q9Y5N1 6/20 0.59
TPSAB1 Q15661 2/20 0.53
HSD11B1 P28845 1/20 0.53
FKBP1A P62942 2/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
TPSD1 Q9BZJ3 1/20 0.51
TPSG1 Q9NRR2 1/20 0.51

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
SCHEMBL12466797 0.79 MEN1 (0.77) F2TPSAB1PRSS1PRSS2PRSS3
SCHEMBL6429540 0.76 HSD11B1 (0.58) HSD11B1
SCHEMBL15077021 0.74 F2 (0.74) F2FKBP1A
SCHEMBL23752396 0.74 F2 (0.74) F2FKBP1A
SCHEMBL21138521 0.74 HSD11B1 (0.62) HSD11B1
SCHEMBL4964339 0.73 HSD11B1 (0.61) HSD11B1
SCHEMBL4629395 0.73 HSD11B1 (0.61) HSD11B1
Hydrochloric Acid SCHEMBL29238125 0.72 HSD11B1 (0.60) HSD11B1
SCHEMBL27651068 0.71 HSD11B1 (0.58) HSD11B1
SCHEMBL15077024 0.71 F2 (0.74) F2

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-2668157-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS Proximagen Limited (GB) 2013-12-04 EP disclosed
WO-2012101453-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS PROXIMAGEN LTD. (GB) 2012-08-02 WO disclosed