SCHEMBL6608348

SCHEMBL6608348

CON(C(=O)C=O)c1ccccc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.46
NAMPT P43490 1/20 0.44
KDM4E B2RXH2 2/20 0.42
THRB P10828 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PDE10A Q9Y233 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGDS O60760 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 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
SCHEMBL6606751 0.85 MEN1 (0.44) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7674231 0.84 MEN1 (0.37) MAPTALDH1A1MEN1KMT2A
SCHEMBL6608621 0.82 GPR119 (0.53) GPR119NAMPTKDM4ETHRBMAPT
SCHEMBL2102993 0.77 GPR119 (0.53) GPR119NAMPTKDM4ETHRBMAPT
SCHEMBL30749320 0.77 GPR119 (0.53) GPR119NAMPTKDM4ETHRBMAPT
SCHEMBL8332423 0.77 GPR119 (0.49) GPR119NAMPTKDM4ETHRBMAPT
SCHEMBL3436365 0.76 GPR119 (0.58) GPR119NAMPTKDM4ETHRBMAPT
Hydrochloric Acid SCHEMBL6604954 0.76 HTR2C (0.48)
SCHEMBL4854592 0.76 MEN1 (0.64) GPR119NAMPTMAPTALDH1A1MEN1
SCHEMBL4682164 0.75 GPR119 (0.41) GPR119NAMPTKDM4ETHRBMAPT

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