SCHEMBL7834604

SCHEMBL7834604

CNS(=O)(=O)c1cc(C(=O)OC)ccc1C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
HTT P42858 1/20 0.48
CYP2C19 P33261 1/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
PDE4B Q07343 1/20 0.44
RBP4 P02753 1/20 0.43
GRIN2B Q13224 3/20 0.43

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
SCHEMBL7832283 0.82 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1HTTCYP2C19
SCHEMBL1764080 0.82 RBP4 (0.61) SMN1; SMN2RAB9ANPC1HTTCYP2C19
SCHEMBL7838902 0.81 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1HTTCYP2C19
SCHEMBL7672831 0.81 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1HTTCYP2C19
SCHEMBL7667787 0.81 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1HTTCYP2C19
SCHEMBL7669298 0.78 MMP1 (0.54) SMN1; SMN2RAB9ANPC1HTTCYP2C19
SCHEMBL30711214 0.78 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1HTTCYP2C19
SCHEMBL7828181 0.77 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1HTTCYP2C19
SCHEMBL2710063 0.74 LMNA (0.52) SMN1; SMN2RAB9ANPC1HTTGRIN2B
SCHEMBL7818115 0.74 CHRNB2 (0.44) SMN1; SMN2HTTCYP2C19KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 EP disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed