SCHEMBL6608577

SCHEMBL6608577

CSc1cc(Cl)ccc1C1(O)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.48
BIRC2 Q13490 1/20 0.48
CCR1 P32246 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NOS2 P35228 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
CYP2C19 P33261 1/20 0.42
KDM1A O60341 2/20 0.42
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 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
SCHEMBL4023748 0.89 MEN1 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6611044 0.87 MEN1 (0.50) CCR1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL6604538 0.87 SCN5A (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29087291 0.84 PTGDR2 (0.48) XIAPBIRC2CCR1MEN1KMT2A
SCHEMBL6608659 0.82 SCN5A (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4031013 0.79 MEN1 (0.42) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2880304 0.79 SMN1; SMN2 (0.55) CCR1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL16936275 0.79 CCR1 (0.64) CCR1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL6603778 0.78 SMN1; SMN2 (0.53) CCR1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL7676544 0.77 NOS2 (0.49) CCR1MEN1KMT2ANPSR1SMN1; SMN2

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