SCHEMBL7667690

SCHEMBL7667690

CNC(=O)Nc1ccccc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
GPR119 Q8TDV5 4/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
STS P08842 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
GCK P35557 1/20 0.44
EPHX1 P07099 1/20 0.43

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
SCHEMBL8333919 0.88 GPR119 (0.54) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL7670250 0.88 NAMPT (0.54) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL7673219 0.87 NAMPT (0.53) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL6608352 0.85 NAMPT (0.51) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL6326316 0.83 GPR119 (0.46) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL4682170 0.82 KDM4E (0.45) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL7667732 0.81 NAMPT (0.48) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL4675927 0.81 GPR119 (0.50) NAMPTGPR119KDM4EPKMSTS
SCHEMBL3436365 0.80 GPR119 (0.58) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL1475943 0.79 EPHX2 (0.51) GPR119PTPN2PTPN1PTPN6KDM4E

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