SCHEMBL14436417

SCHEMBL14436417

CC(CN1CCCC1)Oc1cc(Cl)ccc1C1CCN(C(=O)[C@H](N)Cc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 10/20 0.47
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ MC4R P32245 3/20 0.46
▸ HPGD P15428 1/20 0.43
▸ ADAM17 P78536 2/20 0.43
▸ ADAMTS5 Q9UNA0 2/20 0.43
▸ AKT1 P31749 1/20 0.42
▸ AKT2 P31751 1/20 0.42
▸ AKT3 Q9Y243 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14435242 0.92 ADAM17 (0.42) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL14435240 0.92 ADAM17 (0.42) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL12713172 0.86 CALCA (0.47) MC4RHPGDADAM17ADAMTS5
SCHEMBL12713306 0.85 HDAC8 (0.48) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL14436415 0.84 HDAC8 (0.46) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL14436419 0.84 HDAC8 (0.46) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL13002996 0.84 HDAC8 (0.46) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL14435273 0.83 ADAM17 (0.39) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL13960290 0.82 HDAC8 (0.41) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL12713297 0.80 HDAC8 (0.51) HDAC8HDAC1HDAC3HDAC2HDAC6

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-2007096186-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-08-30 — — WO disclosed
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