SCHEMBL14469549

SCHEMBL14469549

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccc(C(=O)OC)cc3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CHKA P35790 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 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
SCHEMBL14469562 0.87 L3MBTL1 (0.47) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL14469477 0.86 KMT2A (0.58) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL14469449 0.86 KMT2A (0.53) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL14469450 0.86 KDM4E (0.45) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL14469190 0.85 CYP3A4 (0.48) KMT2AMEN1TSHR
SCHEMBL14469459 0.85 KDM4E (0.56) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL14469460 0.84 KMT2A (0.51) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL14469285 0.84 L3MBTL1 (0.44) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL14469568 0.84 S1PR5 (0.52) L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL14469456 0.84 SMN1; SMN2 (0.50) KDM4EKMT2AMEN1ALDH1A1MAPT

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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