SCHEMBL6604538

SCHEMBL6604538

COc1ccc(C2(O)CCN(C(=O)OCc3ccccc3)CC2)c(SC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.51
SCN9A Q15858 1/20 0.51
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM1A O60341 2/20 0.43
NOS2 P35228 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP7 P09237 2/20 0.42
MMP9 P14780 2/20 0.42
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
APP P05067 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6608659 0.93 SCN5A (0.52) SCN5ASCN9ANPSR1MEN1KMT2A
SCHEMBL6611044 0.88 MEN1 (0.50) SCN5ASCN9ANPSR1MEN1KMT2A
SCHEMBL4023748 0.88 MEN1 (0.46) SCN5ASCN9ANPSR1MEN1KMT2A
SCHEMBL6608577 0.87 XIAP (0.48) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6709536 0.87 SCN5A (0.54) SCN5ASCN9ANPSR1MEN1KMT2A
SCHEMBL8315303 0.85 SCN5A (0.54) SCN5ASCN9ANPSR1MEN1KMT2A
SCHEMBL8315425 0.81 OPRD1 (0.54) SCN5ASCN9ANPSR1MEN1KMT2A
SCHEMBL4031013 0.80 MEN1 (0.42) SCN5ASCN9ANPSR1MEN1KMT2A
SCHEMBL7504527 0.80 ALDH1A1 (0.60) SCN5ASCN9ANPSR1MEN1KMT2A
SCHEMBL7676544 0.80 NOS2 (0.49) SCN5ASCN9ANPSR1MEN1KMT2A

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 7 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
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-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
EP-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed