SCHEMBL7240889

SCHEMBL7240889

Cc1cccnc1-c1cccc(N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.39
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
CYP2A6 P11509 1/20 0.37
ABL1 P00519 1/20 0.36
GRIA2 P42262 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
TDP2 O95551 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL7237877 0.88 TRPV1 (0.40) TRPV1NPFFR1NPFFR2ABL1FGFR3
SCHEMBL7238630 0.87 KDM4E (0.42) NPFFR1NPFFR2
SCHEMBL7231945 0.87 BACE1 (0.37) TRPV1NPFFR1NPFFR2ABL1KDR
SCHEMBL7236678 0.86 SCN5A (0.46) TRPV1
SCHEMBL7232510 0.86 ATR (0.39) NPFFR1NPFFR2TDP2RAB9A
SCHEMBL7238421 0.85 TRPV1 (0.43) TRPV1NPFFR1NPFFR2PDK1PDK2
SCHEMBL7240032 0.84 TRPV1 (0.45) TRPV1NPFFR1NPFFR2RAB9A
SCHEMBL7236713 0.83 NPFFR1 (0.35) TRPV1NPFFR1NPFFR2TDP2RAB9A
SCHEMBL7237052 0.81 NPFFR1 (0.37) TRPV1NPFFR1NPFFR2
SCHEMBL7841418 0.80 CYP17A1 (0.42) TRPV1FGFR3KDRTDP2RAB9A

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
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed