SCHEMBL14469559

SCHEMBL14469559

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3cccc([N+](=O)OC)c3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALOX15 P16050 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
SCHEMBL14469464 0.85 MEN1 (0.45) KDM4EPOLBALDH1A1LMNAHTT
SCHEMBL14469115 0.85 MEN1 (0.49) KDM4EPOLBALDH1A1HTTMEN1
SCHEMBL14469179 0.85 ADRB2 (0.54) KDM4EPOLBALDH1A1HTTMEN1
SCHEMBL14469477 0.84 KMT2A (0.58) KDM4EPOLBALDH1A1LMNAMEN1
SCHEMBL14469576 0.83 KDM4E (0.40) KDM4EPOLBALDH1A1LMNAMEN1
SCHEMBL14469459 0.83 KDM4E (0.56) KDM4EPOLBALDH1A1LMNAMEN1
SCHEMBL14469476 0.82 FAAH (0.50) KDM4EPOLBALDH1A1LMNAHTT
SCHEMBL14469463 0.82 KDM4E (0.48) KDM4EPOLBALDH1A1LMNAHTT
SCHEMBL14469553 0.82 KDM4E (0.61) KDM4EPOLBALDH1A1LMNAHTT
SCHEMBL14469470 0.82 FAAH (0.52) KDM4EPOLBALDH1A1LMNAHTT

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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