SCHEMBL13002996

SCHEMBL13002996

N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccc(Cl)cc2OCCCN2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 10/20 0.46
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ AKT1 P31749 1/20 0.44
▸ AKT2 P31751 1/20 0.44
▸ AKT3 Q9Y243 1/20 0.44
▸ F10 P00742 2/20 0.43
▸ MC4R P32245 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ EPHX2 P34913 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
SCHEMBL12713306 0.95 HDAC8 (0.48) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL14435584 0.90 HRH1 (0.47) KDM4ENPC1RAB9ASMN1; SMN2AKT1
SCHEMBL12713297 0.88 HDAC8 (0.51) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL14435946 0.88 HDAC8 (0.44) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL12713290 0.86 ADAM17 (0.41) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL12713270 0.86 HTR7 (0.39) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL12713110 0.86 CALCA (0.46) KDM4ENPC1RAB9ASMN1; SMN2F10
SCHEMBL14431088 0.86 HDAC8 (0.52) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL12713089 0.85 CALCA (0.45) KDM4ENPC1RAB9ASMN1; SMN2F10
SCHEMBL14435974 0.84 AKT1 (0.46) AKT1AKT2AKT3HRH2HRH1

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-2004604-B1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2010-12-01 — — EP disclosed
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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