SCHEMBL5543774

SCHEMBL5543774

CC(=O)c1cccc(-c2ccc(CC3CCN(C4CCC(C)(O)CC4)C3=O)c(Cl)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
ACVRL1 P37023 2/20 0.36
ACVR1 Q04771 2/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
PGR P06401 1/20 0.35
MCHR1 Q99705 2/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP2 O95551 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHEK1 O14757 1/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
P2RX7 Q99572 1/20 0.33
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32

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
SCHEMBL13674536 1.00 HRH3 (0.39) HRH3ACVRL1ACVR1BMPR1BBMPR1A
SCHEMBL4505542 0.92 MAP3K14 (0.39) ACVRL1ACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL13674538 0.92 MAP3K14 (0.39) ACVRL1ACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL4518204 0.92 ACVRL1 (0.38) HRH3ACVRL1ACVR1BMPR1BBMPR1A
SCHEMBL13674537 0.92 ACVRL1 (0.38) HRH3ACVRL1ACVR1BMPR1BBMPR1A
SCHEMBL13674540 0.89 HSD11B1 (0.37) ACVRL1ACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL4508940 0.89 HSD11B1 (0.37) ACVRL1ACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL13674530 0.89 AVPR1A (0.43) HRH3ACVRL1ACVR1BMPR1BBMPR1A
SCHEMBL4515579 0.89 AVPR1A (0.43) HRH3ACVRL1ACVR1BMPR1BBMPR1A
SCHEMBL13675512 0.86 HRH3 (0.39) HRH3PGRMCHR1HSD11B1KMT2A

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
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed