SCHEMBL7960753

SCHEMBL7960753

CC(C)(C)OC(=O)NCCCCOCc1cc(Br)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.44
▸ CA1 P00915 6/20 0.44
▸ CA2 P00918 6/20 0.44
▸ CA9 Q16790 6/20 0.44
▸ AAK1 Q2M2I8 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ FPR3 P25089 3/20 0.41
▸ FPR2 P25090 3/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ IDO1 P14902 3/20 0.39
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL7958781 0.84 FPR3 (0.41) AAK1FPR3FPR2NQO2IDO1
SCHEMBL7948970 0.83 AAK1 (0.42) AAK1FPR3FPR2NQO2IDO1
SCHEMBL7963434 0.83 AAK1 (0.47) AAK1
SCHEMBL7949193 0.80 RAB9A (0.47) IDO1LMNA
SCHEMBL30751420 0.80 AAK1 (0.47) AAK1FPR3FPR2
SCHEMBL1476859 0.80 AAK1 (0.47) AAK1FPR3FPR2
SCHEMBL7948978 0.78 ALDH1A1 (0.38) LMNA
SCHEMBL7959896 0.77 ALDH1A1 (0.37) LMNA
SCHEMBL24742372 0.76 CA12 (0.43) CA12CA1CA2CA9TDP1
SCHEMBL7957287 0.76 ALDH1A1 (0.44) LMNA

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
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 — — US disclosed
CN-1173867-A Indolyl neuropeptide Y receptor antagonists LILLY CO ELI (US) 1998-02-18 — — CN disclosed
EP-0789688-A4 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-11-19 — — EP disclosed
EP-0789688-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-20 — — EP disclosed
WO-1997009308-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-03-13 — — WO disclosed
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