SCHEMBL7735911

SCHEMBL7735911

O=C(CBr)Nc1ccc(C2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.63
KLF5 Q13887 1/20 0.63
ALDH1A1 P00352 5/20 0.62
HPGD P15428 2/20 0.62
NPC1 O15118 3/20 0.59
USP2 O75604 2/20 0.59
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
DEGS1 O15121 1/20 0.56
RORC P51449 1/20 0.55
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 1/20 0.50
HAO1 Q9UJM8 1/20 0.48
EPHX2 P34913 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL11274121 0.92 HDAC3 (0.53) MITFKLF5ALDH1A1HPGDNPC1
SCHEMBL517540 0.84 MITF (0.63) MITFKLF5ALDH1A1HPGDNPC1
SCHEMBL3824110 0.84 MITF (0.63) MITFKLF5ALDH1A1HPGDNPC1
SCHEMBL11356835 0.81 HDAC8 (0.64) MITFKLF5ALDH1A1HPGDNPC1
SCHEMBL11215485 0.80 HDAC8 (0.62) MITFKLF5ALDH1A1HPGDNPC1
SCHEMBL7940080 0.79 MITF (0.58) MITFKLF5ALDH1A1HPGDNPC1
SCHEMBL7738147 0.79 ALDH1A1 (0.81) MITFKLF5ALDH1A1HPGDNPC1
SCHEMBL15267699 0.78 KMT2A (0.60) MITFALDH1A1HPGDNPC1HDAC8
SCHEMBL7760744 0.78 HDAC8 (0.60) MITFKLF5ALDH1A1HPGDNPC1
SCHEMBL3822159 0.78 SLC18A3 (0.67) MITFKLF5ALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410792-B1 OBESITY DISEASES BAYER CORPORATION 2002-06-25 US disclosed
US-6245817-B1 NEUROPEPTIDE Y BAYER CORPORATION 2001-06-12 US disclosed
US-6048900-A FOR TREATING EATING DISORDERS, INSULIN RESISTANT DIABETES, HYPERTENSION, HYPERLIPEMIA BAYER CORPORATION (US) 2000-04-11 US disclosed
US-5939462-A ADMINISTERING ALKOXY AND -THIOALKOXYAMIDE COMPOSITIONS TO MAMMALS TO TREAT DISORDERS SUCH AS OBESITY THAT ARE MEDIATED BY NEUROPEPTIDE Y (?NPY?) BAYER CORPORATION (US) 1999-08-17 US disclosed
EP-0927166-A1 AMIDES AS NPY5 RECEPTOR ANTAGONISTS Bayer Corporation (US) 1999-07-07 EP disclosed
EP-0910565-A1 AMIDE DERIVATIVES AS SELECTIVE NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Bayer Corporation (US) 1999-04-28 EP disclosed
WO-1998035957-A1 AMIDE DERIVATIVES AS SELECTIVE NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BAYER CORPORATION (US) 1998-08-20 WO disclosed
WO-1998035944-A1 AMIDES AS NPY5 RECEPTOR ANTAGONISTS BAYER CORPORATION (US) 1998-08-20 WO disclosed