SCHEMBL9224993

SCHEMBL9224993

CC(C)CCN(C=O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
OPRK1 P41145 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HPGD P15428 1/20 0.38
RORC P51449 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8857306 0.80 TSHR (0.43) AOC3TSHRALDH1A1RORC
SCHEMBL9827440 0.80 MEN1 (0.39) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL5540671 0.80 HTR2A (0.39) AOC3MEN1KMT2ATSHRHTR2A
SCHEMBL26802 0.79 ALDH1A1 (0.48) AOC3MEN1KMT2ATSHRALDH1A1
SCHEMBL11409213 0.79 REN (0.38) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL16708765 0.79 ALDH1A1 (0.52) AOC3OPRK1MEN1KMT2ATSHR
SCHEMBL5522932 0.78 TAAR1 (0.47) AOC3OPRK1MEN1KMT2ATSHR
SCHEMBL5522934 0.78 TAAR1 (0.47) AOC3OPRK1MEN1KMT2ATSHR
SCHEMBL5539691 0.78 AOC3 (0.47) AOC3OPRK1MEN1KMT2ATSHR
SCHEMBL7272839 0.77 HDAC6 (0.44) MEN1KMT2ATSHRKCNH2ALDH1A1

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
US-5401722-A Peptide analogues MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-03-28 US disclosed
EP-0501280-A2 Renin-inhibiting peptide analogues MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed
EP-0446485-A2 Peptide analogues with renininhibiting activity MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0327877-A2 Peptide-renininhibitors MERCK PATENT GmbH (DE) 1989-08-16 EP disclosed