SCHEMBL14469480

SCHEMBL14469480

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ ALDH1A1 P00352 7/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ LMNA P02545 5/20 0.52
▸ GAA P10253 2/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ FAAH O00519 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ MAPT P10636 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
SCHEMBL14469475 0.85 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14469562 0.84 L3MBTL1 (0.47) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14469477 0.83 KMT2A (0.58) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL14469464 0.83 MEN1 (0.45) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL14469459 0.82 KDM4E (0.56) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL14469190 0.82 CYP3A4 (0.48) KMT2AMEN1TSHR
SCHEMBL14469179 0.82 ADRB2 (0.54) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL14469115 0.82 MEN1 (0.49) KMT2AMEN1ALDH1A1KDM4EFAAH
SCHEMBL14469460 0.82 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14469287 0.82 MEN1 (0.41) KMT2AMEN1ALDH1A1KDM4ESMN1; 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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