SCHEMBL14469171

SCHEMBL14469171

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3c(C)noc3C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ USP2 O75604 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ADAMTS4 O75173 1/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ TAS2R8 Q9NYW2 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
SCHEMBL14469296 0.86 KMT2A (0.43) SMN1; SMN2L3MBTL1GAAMEN1KMT2A
SCHEMBL14469573 0.79 MTNR1B (0.39) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL14469365 0.77 KDM4E (0.48) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL14469188 0.76 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL14469294 0.75 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL14469186 0.74 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL14469563 0.74 KDM4E (0.37) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL14469234 0.74 ALDH1A1 (0.38) SMN1; SMN2L3MBTL1GAAKMT2AALDH1A1
SCHEMBL14469298 0.74 MEN1 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL14469170 0.73 KDM4E (0.48) SMN1; SMN2MEN1KMT2AALDH1A1MAPT

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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