SCHEMBL7828785

SCHEMBL7828785

CN(C)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.71
KDM4E B2RXH2 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
SHMT2 P34897 1/20 0.70
RAB9A P51151 3/20 0.67
POLB P06746 1/20 0.67
GAA P10253 2/20 0.65
LMNA P02545 1/20 0.65
MAPT P10636 1/20 0.65
CYP2C19 P33261 1/20 0.64
GPR55 Q9Y2T6 1/20 0.62
FNTA P49354 1/20 0.60
FNTB P49356 1/20 0.60
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 2/20 0.57
GRM4 Q14833 1/20 0.56
EPHX1 P07099 1/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL15960035 0.82 SHMT2 (1.00) HTTSMN1; SMN2SHMT2POLBLMNA
SCHEMBL13064545 0.81 DHODH (0.61) HTTKDM4ESMN1; SMN2SHMT2RAB9A
SCHEMBL19420106 0.80 HTT (0.72) HTTKDM4ESMN1; SMN2RAB9APOLB
SCHEMBL7824367 0.80 RAB9A (0.72) HTTKDM4ESMN1; SMN2RAB9APOLB
SCHEMBL31335388 0.79 RAB9A (0.72) HTTKDM4ESMN1; SMN2RAB9APOLB
SCHEMBL3917111 0.79 RAB9A (1.00) HTTKDM4ESMN1; SMN2RAB9APOLB
SCHEMBL7823539 0.79 MAPT (1.00) HTTKDM4ESMN1; SMN2RAB9APOLB
SCHEMBL15503788 0.77 GAA (1.00) HTTKDM4ESMN1; SMN2RAB9APOLB
SCHEMBL12218175 0.77 POLB (0.70) HTTKDM4ESMN1; SMN2RAB9APOLB
SCHEMBL5519141 0.76 RAB9A (0.94) HTTKDM4ESMN1; SMN2RAB9APOLB

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed