SCHEMBL6606823

SCHEMBL6606823

COC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)c([S+](C)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.45
SCN9A Q15858 1/20 0.44
MAPT P10636 3/20 0.44
THRB P10828 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.43
GPR119 Q8TDV5 6/20 0.43
ALDH1A1 P00352 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
STS P08842 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL6604486 0.84 KDM4E (0.46) SCN9AMAPTTHRBKDM4EGPR119
SCHEMBL1039156 0.83 GPR119 (0.53) RBP4SCN9AMAPTTHRBKDM4E
SCHEMBL31615908 0.83 KDM4E (0.50) RBP4SCN9AMAPTTHRBKDM4E
SCHEMBL19107668 0.82 PDE4A (0.47) RBP4SCN9AMAPTTHRBKDM4E
SCHEMBL7667787 0.81 SMN1; SMN2 (0.53) RBP4KMT2AHTT
SCHEMBL7672831 0.81 SMN1; SMN2 (0.53) RBP4KMT2AHTT
SCHEMBL1763753 0.81 RBP4 (0.61) RBP4GPR119
SCHEMBL1763095 0.81 SLC9A1 (0.52) RBP4SCN9AMAPTTHRBKDM4E
SCHEMBL7819371 0.80 RBP4 (0.41) RBP4MAPTTHRBKDM4EKMT2A
SCHEMBL19284677 0.79 RBP4 (0.49) RBP4SCN9AMAPTTHRBKDM4E

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 5 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
CN-1322196-A Naphthalenecarboxamides as tachykinin receptor antagonists ASTRA ZENECA N N (SE) 2001-11-14 CN 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