SCHEMBL13369998

SCHEMBL13369998

CC(C)N(C(=O)c1cccc(N)c1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.50
▸ GABRA1 P14867 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ LMNA P02545 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MCOLN3 Q8TDD5 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.45
▸ KDM4C Q9H3R0 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ ADRB2 P07550 1/20 0.43

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
SCHEMBL18175980 0.84 PBRM1 (0.49) PBRM1LMNANPC1MITFPOLB
SCHEMBL24766663 0.81 PBRM1 (0.46) PBRM1LMNANPC1MITFPOLB
SCHEMBL1172823 0.79 PBRM1 (0.55) PBRM1LMNANPC1MITFPOLB
SCHEMBL13008135 0.79 CES2 (0.55) GABRA1GABRB2LMNANPC1ALDH1A1
SCHEMBL29480879 0.79 CES2 (0.55) GABRA1GABRB2LMNANPC1ALDH1A1
Hydrochloric Acid SCHEMBL27784476 0.78 PBRM1 (0.53) PBRM1LMNANPC1MITFPOLB
Hydrochloric Acid SCHEMBL29512126 0.77 CES2 (0.53) GABRA1GABRB2LMNAALDH1A1HPGD
SCHEMBL8035994 0.77 NPSR1 (0.54) GABRA1GABRB2LMNANPC1POLB
SCHEMBL458409 0.77 NPSR1 (0.59) GABRA1GABRB2LMNAALDH1A1HPGD
SCHEMBL2955528 0.76 HPGD (0.50) GABRA1GABRB2LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2014285-B1 NPYY5 antagonists SHIONOGI & CO (JP) 2010-05-05 — — EP disclosed
EP-1249233-B9 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2009-08-05 — — EP disclosed
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 — — EP disclosed
EP-1249233-B1 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2008-08-20 — — EP disclosed
CN-1944398-A New benzoyl amide compounds and its preparing method and medicine use INST OF MEDICINES CHINESE ACAD (CN) 2007-04-11 — — CN disclosed
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