SCHEMBL6605401

SCHEMBL6605401

Cc1scc(NC(=O)C(C)(C)O)c1C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
CYP2C19 P33261 1/20 0.46
GRIN2B Q13224 10/20 0.46
CYP2D6 P10635 4/20 0.44
CYP2C9 P11712 4/20 0.44
CYP3A4 P08684 3/20 0.42
ENPP2 Q13822 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP30 Q70CQ3 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 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
SCHEMBL6605023 0.81 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL6603787 0.80 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL6603254 0.79 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL2676211 0.74 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL6605396 0.73 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL8314906 0.73 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL6613099 0.73 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL6603634 0.71 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL2757993 0.71 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL29061106 0.71 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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