SCHEMBL7780592

SCHEMBL7780592

Cc1ccc(C(N[C@H](C)c2cc(F)cc(F)c2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
TSHR P16473 2/20 0.41
ACHE P22303 1/20 0.41
NFE2L2 Q16236 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
POLB P06746 1/20 0.37
KMO O15229 1/20 0.37
MAPT P10636 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
SCHEMBL27540162 1.00 HTT (0.46) HTTTSHRACHENFE2L2LMNA
SCHEMBL7785302 0.93 HTT (0.46) HTTTSHRACHENFE2L2LMNA
SCHEMBL7787532 0.93 MEN1 (0.40) HTTTSHRACHELMNAMEN1
SCHEMBL27533527 0.93 MEN1 (0.40) HTTTSHRACHELMNAMEN1
SCHEMBL7785576 0.92 CRHBP (0.44) HTTTSHRLMNAMEN1KMT2A
SCHEMBL7785105 0.92 CRHBP (0.44) HTTTSHRLMNAMEN1KMT2A
SCHEMBL7784720 0.90 ALDH1A1 (0.40) HTTLMNAMEN1KMT2AHPGD
SCHEMBL7785724 0.90 ALDH1A1 (0.40) HTTLMNAMEN1KMT2AHPGD
SCHEMBL7785152 0.88 MAPK1 (0.46) HTTNFE2L2LMNAMEN1KMT2A
SCHEMBL7780564 0.88 MAPK1 (0.46) HTTNFE2L2LMNAMEN1KMT2A

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 3 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
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed