SCHEMBL14469587

SCHEMBL14469587

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.49
▸ GAA P10253 2/20 0.44
▸ PKM P14618 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ F13A1 P00488 2/20 0.42
▸ TGM2 P21980 2/20 0.42
▸ TGM1 P22735 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GPR183 P32249 1/20 0.41

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
SCHEMBL14469581 0.89 ALDH1A1 (0.45) L3MBTL1ALDH1A1GAAPKMTSHR
SCHEMBL14469366 0.89 CNR1 (0.58) L3MBTL1ALDH1A1GAAPKMTSHR
SCHEMBL14469583 0.89 POLB (0.53) L3MBTL1ALDH1A1GAAPKMUSP2
SCHEMBL14469580 0.86 L3MBTL1 (0.41) L3MBTL1ALDH1A1GAATSHRCNR1
SCHEMBL14469240 0.83 CNR1 (0.58) GAACNR1NPSR1
SCHEMBL14469582 0.82 CNR1 (0.47) CNR1NPSR1GPR183
SCHEMBL14469235 0.82 CNR1 (0.45) ALDH1A1GAACNR1NPSR1
SCHEMBL14469197 0.80 CNR1 (0.44) ALDH1A1GAATSHRCNR1NPSR1
SCHEMBL14469586 0.80 CNR1 (0.41) L3MBTL1ALDH1A1GAAKDM4ETSHR
SCHEMBL14469592 0.80 LSS (0.42) ALDH1A1GAAKDM4EUSP2TSHR

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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