SCHEMBL7789132

SCHEMBL7789132

COc1ccc(C(N[C@@H](C)c2ccccc2)c2ccc(F)cc2)cc1Nc1c(N)c(=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CASR P41180 2/20 0.37
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.35
MITF O75030 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 1/20 0.34
MAPKAPK2 P49137 2/20 0.34
CXCR2 P25025 1/20 0.34
CCR1 P32246 1/20 0.34
EGFR P00533 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL7789230 0.90 KMT2A (0.36) CRHBPCRHR2CASRALDH1A1KMT2A
SCHEMBL7785066 0.89 CRHBP (0.39) CRHBPCRHR2CASRALDH1A1KMT2A
SCHEMBL7785589 0.83 MAPKAPK2 (0.45) MAPKAPK2
SCHEMBL7785111 0.82 CASR (0.45) CRHBPCRHR2CASRALDH1A1KMT2A
SCHEMBL7787494 0.80 KMT2A (0.38) CRHBPCRHR2CASRALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7787505 0.79 MAPKAPK2 (0.34) KMT2AMAPKAPK2CXCR2MEN1
SCHEMBL7787667 0.77 MAPKAPK2 (0.46) ALDH1A1KMT2AGAALMNAMAPKAPK2
SCHEMBL7780621 0.76 MAPKAPK2 (0.38) KMT2AMAPKAPK2CXCR2MEN1
SCHEMBL7787683 0.75 MAPKAPK2 (0.45) MAPKAPK2
SCHEMBL7787601 0.75 MAPKAPK2 (0.45) MAPKAPK2

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed