SCHEMBL13689524

SCHEMBL13689524

CN(CC(c1ccccc1)c1ccccc1)C(=O)[C@H](CCCN)NCCNC(=O)c1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.48
▸ HDAC1 Q13547 4/20 0.48
▸ HDAC4 P56524 3/20 0.48
▸ HDAC7 Q8WUI4 3/20 0.48
▸ HDAC2 Q92769 3/20 0.48
▸ HDAC10 Q969S8 3/20 0.48
▸ HDAC11 Q96DB2 3/20 0.48
▸ HDAC8 Q9BY41 3/20 0.48
▸ HDAC6 Q9UBN7 3/20 0.48
▸ HDAC9 Q9UKV0 3/20 0.48
▸ HDAC5 Q9UQL6 3/20 0.48
▸ ACR P10323 3/20 0.47
▸ MAPT P10636 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ RET P07949 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
SCHEMBL13691662 0.79 TMEM97 (0.47) HDAC3HDAC1
SCHEMBL13190974 0.75 ALDH1A1 (0.43) MAPT
SCHEMBL13691667 0.74 SMN1; SMN2 (0.42) MAPTGAA
SCHEMBL13188836 0.73 NPC1 (0.46) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL13691791 0.73 ACR (0.56) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL13689519 0.73 LMNA (0.48) —
SCHEMBL13689399 0.73 LMNA (0.43) ADORA3
SCHEMBL13689400 0.72 HDAC3 (0.44) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL13689523 0.72 SMYD3 (0.47) MAPTGAA
SCHEMBL13689395 0.72 HDAC3 (0.35) HDAC3HDAC1HDAC4HDAC7HDAC2

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-2009105824-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
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