SCHEMBL6606604

SCHEMBL6606604

O=C(OCc1ccccc1)N1CCC(c2ccccc2OS(=O)(=O)C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP2C19 P33261 1/20 0.52
DRD2 P14416 1/20 0.51
DRD1 P21728 1/20 0.51
DRD4 P21917 1/20 0.51
DRD5 P21918 1/20 0.51
DRD3 P35462 1/20 0.51
HTT P42858 1/20 0.47
JAK2 O60674 3/20 0.46
JAK1 P23458 3/20 0.46
TYK2 P29597 2/20 0.46
JAK3 P52333 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GRIN2B Q13224 5/20 0.45
F13A1 P00488 2/20 0.45
TGM2 P21980 2/20 0.45

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
SCHEMBL7506582 0.83 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL3552370 0.83 DRD2 (0.53) SMN1; SMN2DRD2DRD1DRD4DRD5
SCHEMBL7503270 0.82 MEN1 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19DRD2
SCHEMBL5806087 0.81 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL29795241 0.79 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7666242 0.78 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2278508 0.78 DRD2 (0.60) NPC1RAB9ADRD2DRD1DRD4
SCHEMBL12539311 0.77 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL22444937 0.77 DRD2 (0.60) DRD2DRD1DRD4DRD5DRD3
SCHEMBL21590355 0.77 DRD2 (0.64) DRD2DRD1DRD4DRD5DRD3

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