SCHEMBL5720786

SCHEMBL5720786

CCCCc1ccc(COc2ccc(C(=O)N[C@@H](C)CC3CCCCC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 2/20 0.52
▸ HRH3 Q9Y5N1 3/20 0.48
▸ SLC6A5 Q9Y345 2/20 0.44
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ PLK1 P53350 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TAOK1 Q7L7X3 1/20 0.42
▸ TAOK3 Q9H2K8 1/20 0.42
▸ SMPD1 P17405 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PPARG P37231 1/20 0.41

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
SCHEMBL1122690 0.88 GPR132 (0.53) BDKRB2HRH3SLC6A5
SCHEMBL1122814 0.88 GPR132 (0.53) BDKRB2HRH3SLC6A5
SCHEMBL1122538 0.87 BDKRB2 (0.50) BDKRB2HRH3PLK1
SCHEMBL1123135 0.82 GPR132 (0.54) BDKRB2PPARG
SCHEMBL1123215 0.81 TAS1R3 (0.53) BDKRB2SLC6A5ALDH1A1MAPTHTT
SCHEMBL1123259 0.78 GPR132 (0.68) BDKRB2HPGDSMPD1HTT
SCHEMBL1123156 0.77 GPR132 (0.58) BDKRB2HPGDSMPD1HTT
SCHEMBL1123422 0.77 CTSL (0.48) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL5720742 0.75 HRH3 (0.50) HRH3SLC6A5SENP8SENP7SENP6
SCHEMBL1123094 0.74 NPC1 (0.70) HRH3PLK1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644321-A2 NEW BENZAMIDES AS PPATY MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-04-12 — — EP claimed
WO-2004110983-A2 NEW BENZAMIDES AS PPARϒ MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-12-23 — — WO claimed
EP-1644321-A2 NEW BENZAMIDES AS PPATY MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-04-12 — — EP disclosed
WO-2004110983-A2 NEW BENZAMIDES AS PPARϒ MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-12-23 — — WO disclosed
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