SCHEMBL14469465

SCHEMBL14469465

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(CCc3ccccc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ USP2 O75604 1/20 0.49
▸ BLM P54132 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KCNH2 Q12809 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL14469477 0.91 KMT2A (0.58) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL14469460 0.86 KMT2A (0.51) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL14469556 0.85 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL14469558 0.84 ALDH1A1 (0.48) ALDH1A1USP2KDM4E
SCHEMBL14469456 0.83 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL14469473 0.83 KMT2A (0.43) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL14469464 0.83 MEN1 (0.45) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL14469569 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL14469123 0.83 ADRB2 (0.45) MEN1KMT2ATSHRKDM4ESMN1; SMN2
SCHEMBL14469562 0.82 L3MBTL1 (0.47) ALDH1A1MEN1KMT2ATSHRKDM4E

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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