SCHEMBL7367952

SCHEMBL7367952

COc1ccc(C(=O)CCc2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.68
NPC1 O15118 1/20 0.68
GAA P10253 1/20 0.64
LMNA P02545 1/20 0.63
KMT2A Q03164 4/20 0.56
MAPT P10636 2/20 0.54
PTAFR P25105 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
POLB P06746 1/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP1B1 Q16678 1/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL16310778 0.89 TBXAS1 (0.58) RAB9ANPC1LMNAPTAFRCYP1A2
SCHEMBL6280463 0.87 GAA (0.65) RAB9ANPC1GAALMNAKMT2A
SCHEMBL15988693 0.85 LMNA (0.70) RAB9ANPC1GAALMNAKMT2A
SCHEMBL4093157 0.84 LMNA (0.61) RAB9ANPC1GAALMNAKMT2A
SCHEMBL11606129 0.83 GAA (0.61) RAB9ANPC1GAALMNAKMT2A
SCHEMBL9475090 0.83 PLOD2 (0.60) RAB9ANPC1LMNAKMT2ASMN1; SMN2
SCHEMBL6794180 0.82 CHRNA7 (0.53) RAB9ANPC1LMNACYP1A2ALDH1A1
SCHEMBL9475946 0.82 GAA (0.53) RAB9ANPC1GAALMNAKMT2A
SCHEMBL9475952 0.82 GAA (0.53) RAB9ANPC1GAALMNAKMT2A
SCHEMBL1304210 0.82 NPC1 (1.00) RAB9ANPC1LMNAKMT2AMAPT

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
WO-1993019047-A1 TETRAHIDROPYRIDINYL (3/4) SUBSTITUED OXIMES HAVING SIGMA RECEPTOR AFFINITY AND THEIR USE IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM CONDITIONS WARNER-LAMBERT COMPANY (US) 1993-09-30 WO disclosed
US-5208343-A Antidepressants, antiinflammatory WARNER-LAMBERT COMPANY (US) 1993-05-04 US disclosed