SCHEMBL7780401

SCHEMBL7780401

C[C@@H](NC(c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
ACP3 P15309 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL7785084 0.92 CRHBP (0.47) CRHBPCRHR2ACP3KMT2AMEN1
SCHEMBL7780324 0.92 CRHBP (0.47) CRHBPCRHR2ACP3KMT2AMEN1
SCHEMBL7780656 0.92 ALDH1A1 (0.47) CRHBPCRHR2ACP3KMT2AMEN1
SCHEMBL27540196 0.90 ACP3 (0.50) CRHBPCRHR2ACP3KMT2AMEN1
SCHEMBL7785642 0.90 ACP3 (0.50) CRHBPCRHR2ACP3KMT2AMEN1
SCHEMBL7785688 0.90 CRHBP (0.44) CRHBPCRHR2ACP3KMT2AMEN1
SCHEMBL7785576 0.90 CRHBP (0.44) CRHBPCRHR2ACP3KMT2AMEN1
SCHEMBL7785105 0.90 CRHBP (0.44) CRHBPCRHR2ACP3KMT2AMEN1
SCHEMBL7787888 0.90 ALDH1A1 (0.47) CRHBPCRHR2ACP3KMT2AMEN1
SCHEMBL7785144 0.87 AKR1C3 (0.48) CRHBPCRHR2ACP3KMT2AMEN1

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