SCHEMBL14469585

SCHEMBL14469585

C=C/C=C\C=C(/N)S(=O)(=O)NC(=C)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccn3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 2/20 0.36
▸ F13A1 P00488 1/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ TGM1 P22735 1/20 0.35
▸ HSD17B10 Q99714 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14469592 0.85 LSS (0.42) LSSF13A1TGM2TGM1HSD17B10
SCHEMBL14469583 0.73 POLB (0.53) LSSF13A1TGM2TGM1TSHR
SCHEMBL14469184 0.72 POLB (0.57) LSSF13A1TGM2TGM1TSHR
SCHEMBL14469235 0.72 CNR1 (0.45) POLBHTTGAAKMT2AALDH1A1
SCHEMBL14469192 0.71 MEN1 (0.59) TSHRLMNAPOLBHTTMEN1
SCHEMBL14469586 0.71 CNR1 (0.41) LSSTSHRLMNAMAPK1POLB
SCHEMBL14469200 0.69 POLB (0.46) HSD17B10LMNAMAPK1POLBALDH1A1
SCHEMBL14469366 0.69 CNR1 (0.58) F13A1TGM2TGM1TSHRLMNA
SCHEMBL14469581 0.69 ALDH1A1 (0.45) F13A1TGM2TGM1TSHRLMNA
SCHEMBL14469195 0.69 CHRM1 (0.53) —

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-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — WO disclosed
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