SCHEMBL12466798

SCHEMBL12466798

NCc1ccc(CNC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.61
NPSR1 Q6W5P4 1/20 0.58
LMNA P02545 7/20 0.57
EPHX1 P07099 1/20 0.56
EPHX2 P34913 1/20 0.56
KCNH2 Q12809 1/20 0.56
CACNA1C Q13936 1/20 0.56
SCN5A Q14524 1/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
RECQL P46063 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTR2B P41595 1/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53

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
SCHEMBL5014847 0.75 LMNA (0.73) USP2NPSR1LMNAEPHX1EPHX2
SCHEMBL31562922 0.74 LMNA (0.68) USP2LMNAEPHX1EPHX2KCNH2
SCHEMBL12685846 0.72 MEN1 (0.85) NPSR1ALDH1A1MEN1KMT2APOLB
SCHEMBL5014849 0.71 LMNA (0.70) USP2LMNAEPHX1EPHX2KCNH2
Hydrochloric Acid SCHEMBL12466326 0.71 MEN1 (0.83) NPSR1ALDH1A1MEN1KMT2APOLB
SCHEMBL6981315 0.70 MEN1 (0.58) USP2NPSR1ALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL12466738 0.70 NPSR1 (0.54) NPSR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12466436 0.69 EPHX2 (0.63) NPSR1EPHX2ALDH1A1SMN1; SMN2MEN1
SCHEMBL30772251 0.69 LMNA (0.65) USP2NPSR1LMNAEPHX1EPHX2
SCHEMBL27195865 0.69 LMNA (0.65) USP2NPSR1LMNAEPHX1EPHX2

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 4 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 claimed
WO-2012101453-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS PROXIMAGEN LTD. (GB) 2012-08-02 WO claimed
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