SCHEMBL7787586

SCHEMBL7787586

COc1c(Nc2cc(C(N[C@@H](C)c3ccccc3)c3ccccc3)ccc2Cl)c(=O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPKAPK2 P49137 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ACP3 P15309 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
CCR6 P51684 2/20 0.34
ROCK1 Q13464 2/20 0.33
AURKB Q96GD4 2/20 0.33
DCLK1 O15075 1/20 0.33
ROCK2 O75116 1/20 0.33
CHEK2 O96017 1/20 0.33
GSK3A P49840 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
Hydrochloric Acid SCHEMBL7787505 0.83 MAPKAPK2 (0.34) MAPKAPK2MEN1KMT2AACP3MAPK1
SCHEMBL7785066 0.83 CRHBP (0.39) ALDH1A1CRHBPCRHR2MAPKAPK2MEN1
SCHEMBL7787611 0.82 MAPKAPK2 (0.46) MAPKAPK2MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL7785058 0.82 MAPKAPK2 (0.41) ALDH1A1MAPKAPK2MEN1KMT2ASMN1; SMN2
SCHEMBL7787494 0.81 KMT2A (0.38) ALDH1A1CRHBPCRHR2MAPKAPK2MEN1
SCHEMBL7789059 0.77 MAPKAPK2 (0.49) MAPKAPK2MEN1KMT2AMAPK1CYP3A4
SCHEMBL7780618 0.77 MAPKAPK2 (0.42) MAPKAPK2MEN1KMT2AMAPK1CYP3A4
SCHEMBL7780336 0.74 MAPKAPK2 (0.41) ALDH1A1MAPKAPK2MEN1KMT2ASMN1; SMN2
SCHEMBL2770991 0.73 GAA (0.47) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL7787681 0.72 MAPKAPK2 (0.44) MAPKAPK2MEN1KMT2AACP3MAPK1

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