SCHEMBL7614501

SCHEMBL7614501

O=C1C(Br)CCN1c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
CYP11B2 P19099 3/20 0.46
DRD2 P14416 2/20 0.43
HDAC1 Q13547 1/20 0.43
DRD3 P35462 1/20 0.43
CYP11B1 P15538 2/20 0.42
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
HTT P42858 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
ROCK2 O75116 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL7614506 1.00 L3MBTL1 (0.47) L3MBTL1CYP11B2DRD2HDAC1DRD3
SCHEMBL7614509 1.00 L3MBTL1 (0.47) L3MBTL1CYP11B2DRD2HDAC1DRD3
SCHEMBL6178898 0.85 DRD2 (0.39) L3MBTL1CYP11B2DRD2HDAC1DRD3
SCHEMBL7614141 0.80 USP2 (0.44) DRD2HTTFNTAFNTBROCK2
SCHEMBL7614145 0.80 USP2 (0.44) DRD2HTTFNTAFNTBROCK2
SCHEMBL7614138 0.80 USP2 (0.44) DRD2HTTFNTAFNTBROCK2
SCHEMBL1514921 0.80 MEN1 (0.50) HDAC1ROCK2
SCHEMBL308318 0.78 HDAC1 (0.46) L3MBTL1CYP11B2DRD2HDAC1DRD3
SCHEMBL10224501 0.77 HDAC1 (0.45) L3MBTL1CYP11B2DRD2HDAC1DRD3
SCHEMBL7887368 0.76 L3MBTL1 (0.45) L3MBTL1CYP11B2DRD2HDAC1DRD3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111471058-A Process for preparing cephapirin analogues 中国医学科学院药物研究所 2020-07-31 CN disclosed
EP-0620225-B1 Cephalosporin derivatives BASILEA PHARMACEUTICA AG (CH) 2002-11-13 EP disclosed
CN-1046524-C Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1999-11-17 CN disclosed
US-5523400-A 3-(PYRROLIDIN-3-YLIDENE=CH-),7-((2-AMINOTHIAZOL-4-YL)HYDROX -IMINOACETYLAMINO-)-3-CEPHEM DERIVATIVES; BROAD SPECTRUM ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1996-06-04 US disclosed
CN-1105365-A Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1995-07-19 CN disclosed
EP-0620225-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-10-19 EP disclosed