SCHEMBL6603634

SCHEMBL6603634

C[S+]([O-])c1cc(NC(=O)C(C)(C)O)ccc1C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
ENPP2 Q13822 1/20 0.43
CYP2C19 P33261 1/20 0.43
F13A1 P00488 6/20 0.42
TGM2 P21980 6/20 0.42
TGM1 P22735 6/20 0.42
GRIN2B Q13224 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
USP30 Q70CQ3 1/20 0.41
CYP3A4 P08684 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 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
SCHEMBL6605396 0.85 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL7672311 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL7672305 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL7672542 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL6608980 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL6603028 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL6603033 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL7667787 0.81 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL7672831 0.81 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTENPP2
SCHEMBL7569499 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHTTENPP2

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