SCHEMBL14469240

SCHEMBL14469240

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 11/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SLC13A5 Q86YT5 1/20 0.39

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
SCHEMBL14469582 0.91 CNR1 (0.47) CNR1NPSR1F10POLB
SCHEMBL14469366 0.91 CNR1 (0.58) CNR1NPSR1GAAF10POLB
SCHEMBL14469583 0.87 POLB (0.53) CNR1NPSR1GAAPOLBLMNA
SCHEMBL14469199 0.86 ALDH1A1 (0.47) CNR1NPSR1GAAF10POLB
SCHEMBL14469581 0.86 ALDH1A1 (0.45) CNR1NPSR1GAAPOLBLMNA
SCHEMBL14469235 0.86 CNR1 (0.45) CNR1NPSR1GAAPOLBKMT2A
SCHEMBL14469587 0.83 L3MBTL1 (0.53) CNR1NPSR1GAA
SCHEMBL14469197 0.82 CNR1 (0.44) CNR1NPSR1GAAPOLBMEN1
SCHEMBL14469589 0.82 TP53 (0.45) CNR1NPSR1LMNA
SCHEMBL14469234 0.82 ALDH1A1 (0.38) CNR1GAAKMT2A

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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