SCHEMBL4629349

SCHEMBL4629349

ClCCCCOc1[c]cccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.37
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL3653566 0.94 KCNA3 (0.33) KCNA3
SCHEMBL2458787 0.90 — —
SCHEMBL6238419 0.85 JAK2 (0.33) KCNA3
SCHEMBL5256020 0.82 HTR1B (0.37) KCNA3
SCHEMBL6132567 0.82 KCNA3 (0.35) KCNA3
SCHEMBL6539543 0.82 KCNA3 (0.61) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL167283 0.82 LTA4H (0.46) HDAC6
SCHEMBL1007149 0.81 — —
SCHEMBL339719 0.81 LTA4H (0.44) HDAC6
SCHEMBL6539339 0.81 KCNA3 (0.59) KCNA3HDAC3HDAC4HDAC1HDAC7

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
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 — — EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — WO disclosed
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