SCHEMBL6608352

SCHEMBL6608352

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
GPR119 Q8TDV5 2/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
RBP4 P02753 1/20 0.44
STS P08842 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.43
CCR8 P51685 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
SCHEMBL7673219 0.88 NAMPT (0.53) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL7670250 0.87 NAMPT (0.54) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL8333919 0.87 GPR119 (0.54) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL7667690 0.85 NAMPT (0.52) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL6606758 0.84 KMT2A (0.47) ALDH1A1MAPTRBP4
SCHEMBL7674233 0.83 RBP4 (0.43) ALDH1A1RBP4
SCHEMBL7667732 0.83 NAMPT (0.48) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL4675927 0.81 GPR119 (0.50) NAMPTGPR119KDM4EPKMSTS
SCHEMBL6326316 0.80 GPR119 (0.46) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL3436365 0.79 GPR119 (0.58) NAMPTGPR119PTPN2PTPN1PTPN6

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-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed