SCHEMBL14469560

SCHEMBL14469560

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccccc3C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ KMT2A Q03164 6/20 0.46
▸ ACHE P22303 1/20 0.45
▸ MEN1 O00255 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ FABP6 P51161 1/20 0.42
▸ RORC P51449 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14469569 0.90 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL14469451 0.89 TSHR (0.46) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL14469167 0.89 ALDH1A1 (0.41) ALDH1A1KMT2AACHEMEN1KDM4E
SCHEMBL14469551 0.88 KDM4E (0.48) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL14469473 0.88 KMT2A (0.43) ALDH1A1KMT2AMEN1KDM4ERORC
SCHEMBL14469461 0.87 HDAC1 (0.46) KMT2AACHEMEN1KDM4ETSHR
SCHEMBL14469477 0.86 KMT2A (0.58) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL14469466 0.84 MEN1 (0.39) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL14469114 0.84 RAB9A (0.41) ALDH1A1KMT2AMEN1KDM4ERORC
SCHEMBL14469552 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1KDM4ETSHR

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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