SCHEMBL7399984

SCHEMBL7399984

ON=C(CC(c1cccnc1)C(CCc1cccnc1)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
GPR132 Q9UNW8 2/20 0.39
EPHX2 P34913 2/20 0.39
PTAFR P25105 1/20 0.38
TBXAS1 P24557 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KEAP1 Q14145 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNA5 P22460 1/20 0.37

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
SCHEMBL7365545 0.76 TBXAS1 (0.49) LMNASMN1; SMN2EPHX2TBXAS1KEAP1
SCHEMBL7365547 0.76 TBXAS1 (0.49) LMNASMN1; SMN2EPHX2TBXAS1KEAP1
SCHEMBL9323799 0.73 NAPRT (0.54) LMNASMN1; SMN2HTTEPHX2KEAP1
SCHEMBL9323795 0.73 NAPRT (0.54) LMNASMN1; SMN2HTTEPHX2KEAP1
SCHEMBL7399982 0.70 TBXAS1 (0.49) LMNASMN1; SMN2EPHX2TBXAS1CYP2C9
SCHEMBL23655466 0.68 CHRNA7 (0.57) TBXAS1L3MBTL1
SCHEMBL10666387 0.68 KMT2A (0.51) LMNASMN1; SMN2HTTEPHX2KEAP1
SCHEMBL368449 0.66 GPBAR1 (0.76) LMNAGPBAR1SMN1; SMN2HPGDHTT
SCHEMBL363952 0.66 GPBAR1 (0.76) LMNAGPBAR1SMN1; SMN2HPGDHTT
SCHEMBL368448 0.66 GPBAR1 (0.76) LMNAGPBAR1SMN1; SMN2HPGDHTT

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 1 patent. 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