SCHEMBL6604486

SCHEMBL6604486

C[S+]([O-])c1cc(Br)ccc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
GPR119 Q8TDV5 7/20 0.43
FPR2 P25090 2/20 0.43
USP30 Q70CQ3 1/20 0.43
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
HTT P42858 1/20 0.41
NAMPT P43490 1/20 0.41
SCN9A Q15858 1/20 0.40

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
SCHEMBL6606823 0.84 RBP4 (0.45) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL31222908 0.82 MAPT (0.51) KDM4EMAPTTHRBGPR119FPR2
SCHEMBL23291499 0.81 STS (0.50) KDM4EMAPTTHRBGPR119FPR2
SCHEMBL26930284 0.81 GPR119 (0.56) KDM4EMAPTTHRBGPR119FPR2
SCHEMBL23291507 0.81 MAPT (0.49) KDM4EMAPTTHRBGPR119FPR2
SCHEMBL31222846 0.81 MAPT (0.49) KDM4EMAPTTHRBGPR119FPR2
SCHEMBL31192673 0.80 MAPT (0.51) KDM4EMAPTTHRBGPR119FPR2
SCHEMBL7672542 0.80 SMN1; SMN2 (0.51) USP30HTT
SCHEMBL6608980 0.80 SMN1; SMN2 (0.51) USP30HTT
SCHEMBL34466611 0.80 KDM4E (0.48) KDM4EMAPTTHRBGPR119FPR2

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
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