SCHEMBL5023915

SCHEMBL5023915

COc1ccc(COC[C@@H]2CCCC(=O)N2Cc2ccncc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 18/20 0.51
▸ HCRTR2 O43614 18/20 0.51
▸ TRPV6 Q9H1D0 1/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5023922 1.00 HCRTR1 (0.51) HCRTR1HCRTR2TRPV6MEN1KMT2A
SCHEMBL5023886 0.94 HCRTR2 (0.45) HCRTR1HCRTR2TRPV6MEN1KMT2A
SCHEMBL5017752 0.94 HCRTR2 (0.45) HCRTR1HCRTR2TRPV6MEN1KMT2A
SCHEMBL5017748 0.94 HCRTR2 (0.45) HCRTR1HCRTR2TRPV6MEN1KMT2A
SCHEMBL14285587 0.83 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL25235970 0.79 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL14309091 0.76 HCRTR2 (0.45) HCRTR1HCRTR2MEN1KMT2ATDP1
SCHEMBL4574026 0.76 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL4574022 0.76 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL14285579 0.75 HCRTR2 (0.41) HCRTR1HCRTR2MEN1KMT2ATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314940-B2 For therapy and prophylaxis of neurodegenerative disorders related to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2008-01-01 — — US disclosed
US-7314940-B2 For therapy and prophylaxis of neurodegenerative disorders related to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2008-01-01 — — US disclosed
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