SCHEMBL7569499

SCHEMBL7569499

C[S@+]([O-])c1ccccc1C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GRIN2B Q13224 9/20 0.47
CYP2D6 P10635 4/20 0.47
CYP2C9 P11712 4/20 0.47
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 2/20 0.46
JAK3 P52333 2/20 0.46
PDE4B Q07343 1/20 0.46
CYP3A4 P08684 3/20 0.44
ENPP2 Q13822 1/20 0.44

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
SCHEMBL7496641 1.00 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6606921 1.00 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL7672311 0.90 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL7672305 0.90 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL7667461 0.89 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6603028 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL7667749 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6608980 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL7672542 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6603033 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734383-B1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ASTRAZENECA AB (SE) 2002-07-24 EP disclosed
US-5965576-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1999-10-12 US disclosed
US-5705505-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1998-01-06 US disclosed
US-5589489-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1996-12-31 US disclosed
EP-0734383-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1996-10-02 EP disclosed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 WO disclosed