SCHEMBL14469553

SCHEMBL14469553

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.61
▸ LMNA P02545 2/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ TP53 P04637 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ FAAH O00519 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL14469463 0.90 KDM4E (0.48) KDM4ELMNAALDH1A1HTTTP53
SCHEMBL14469477 0.88 KMT2A (0.58) KDM4ELMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL14469464 0.87 MEN1 (0.45) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL14469456 0.85 SMN1; SMN2 (0.50) KDM4EALDH1A1HTTTP53SMN1; SMN2
SCHEMBL14469462 0.85 FAAH (0.50) KDM4ELMNAALDH1A1FAAHPOLB
SCHEMBL14469476 0.85 FAAH (0.50) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL14469179 0.85 ADRB2 (0.54) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL14469115 0.85 MEN1 (0.49) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL14469472 0.84 FAAH (0.51) KDM4ELMNAALDH1A1HTTKMT2A
SCHEMBL14469470 0.83 FAAH (0.52) KDM4ELMNAALDH1A1HTTSMN1; SMN2

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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