SCHEMBL6540481

SCHEMBL6540481

CN[C@@H](C)[C@@H](OC(=O)C[C@H](c1ccccc1)c1cc(Br)ccc1OCc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.42
LRRK2 Q5S007 9/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2168184 1.00 CCR5 (0.43) CCR5ALDH1A1RAB9AHPGDLRRK2
SCHEMBL1355279 0.85 HTT (0.50) CCR5ALDH1A1RAB9AHPGDLRRK2
Racephedrine SCHEMBL2168767 0.83 CCR5 (0.44) CCR5ALDH1A1RAB9AHPGDLRRK2
Racephedrine SCHEMBL2168179 0.83 CCR5 (0.44) CCR5ALDH1A1RAB9AHPGDLRRK2
SCHEMBL724611 0.81 NPSR1 (0.46) CCR5ALDH1A1RAB9ALRRK2HTT
SCHEMBL12293726 0.80 CCR5 (0.47) CCR5ALDH1A1RAB9AHPGDLRRK2
SCHEMBL2167632 0.80 KMT2A (0.47) CCR5ALDH1A1RAB9AHPGDLRRK2
SCHEMBL1783943 0.80 KMT2A (0.47) CCR5ALDH1A1RAB9AHPGDLRRK2
SCHEMBL2166135 0.80 KMT2A (0.47) CCR5ALDH1A1RAB9AHPGDLRRK2
SCHEMBL9287833 0.79 HTT (0.46) CCR5ALDH1A1RAB9AHPGDLRRK2

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
US-6713464-B1 ANTIMUSCARINIC AGENTS WITH SUPERIOR PHARMACOKINETICS SCHWARZ PHARMA AG (DE) 2004-03-30 US disclosed