SCHEMBL14469459

SCHEMBL14469459

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.56
▸ ALDH1A1 P00352 8/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ LMNA P02545 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MAPK1 P28482 3/20 0.50
▸ ALOX15 P16050 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ FAAH O00519 1/20 0.45
▸ GAA P10253 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
SCHEMBL14469468 0.93 KDM4E (0.48) KDM4EALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL14469469 0.88 KDM4E (0.49) KDM4EALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL14469479 0.85 CCR5 (0.52) KDM4EALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL14469113 0.85 ALDH1A1 (0.46) KDM4EALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL14469551 0.85 KDM4E (0.48) KDM4EALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL14469549 0.85 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL14469475 0.85 ALDH1A1 (0.47) KDM4EALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL14469562 0.84 L3MBTL1 (0.47) KDM4EALDH1A1SMN1; SMN2MAPK1ALOX15
SCHEMBL14469471 0.84 ALDH1A1 (0.48) KDM4EALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL14469552 0.84 ALDH1A1 (0.49) KDM4EALDH1A1TDP1LMNASMN1; 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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