SCHEMBL7667693

SCHEMBL7667693

CNC(=O)Nc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.69
PTPN2 P17706 1/20 0.59
PTPN1 P18031 1/20 0.59
PTPN6 P29350 1/20 0.59
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
FPR2 P25090 3/20 0.53
ABL1 P00519 1/20 0.52
RIN1 Q13671 1/20 0.52
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PIK3CA P42336 1/20 0.49
MTOR P42345 1/20 0.49

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
SCHEMBL16835041 0.89 NAMPT (0.67) NAMPTPTPN2PTPN1PTPN6CA12
SCHEMBL10127488 0.88 NAMPT (0.71) NAMPTPTPN2PTPN1PTPN6CA12
SCHEMBL6917548 0.87 NAMPT (0.67) NAMPTPTPN2PTPN1PTPN6ABL1
SCHEMBL15587463 0.87 NAMPT (0.65) NAMPTPTPN2PTPN1PTPN6CA12
SCHEMBL5664016 0.84 NAMPT (0.67) NAMPTPTPN2PTPN1PTPN6CA12
SCHEMBL5466754 0.84 NAMPT (0.61) NAMPTPTPN2PTPN1PTPN6CA12
SCHEMBL27091797 0.84 NAMPT (0.61) NAMPTPTPN2PTPN1PTPN6CA12
SCHEMBL20354696 0.84 NAMPT (0.66) NAMPTPTPN2PTPN1PTPN6CA12
SCHEMBL21965379 0.84 NAMPT (0.66) NAMPTPTPN2PTPN1PTPN6ABL1
SCHEMBL5458069 0.82 NAMPT (0.65) NAMPTPTPN2PTPN1PTPN6CA12

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-6365602-B1 FOR THERAPY OF DEPRESSION, ANXIETY, ASTHMA, PAIN, INFLAMMATION, URINARY INCONTINENCE AND OTHER DISEASE CONDITIONS ASTRA ZENECA AB (SE) 2002-04-02 US disclosed
EP-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 EP disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed