SCHEMBL7958781

SCHEMBL7958781

CC(C)(CCOCc1cc(Br)ccc1F)CNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR3 P25089 1/20 0.41
▸ FPR2 P25090 1/20 0.41
▸ AAK1 Q2M2I8 7/20 0.41
▸ KDM4A O75164 1/20 0.37
▸ NQO2 P16083 1/20 0.36
▸ IDO1 P14902 3/20 0.35
▸ EGFR P00533 2/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MAP2K2 P36507 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL7948970 0.86 AAK1 (0.42) FPR3FPR2AAK1KDM4ANQO2
SCHEMBL8800009 0.85 HPGD (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL7960753 0.84 CA12 (0.44) FPR3FPR2AAK1NQO2IDO1
SCHEMBL7963434 0.81 AAK1 (0.47) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL1476859 0.80 AAK1 (0.47) FPR3FPR2AAK1KDM4ANPC1
SCHEMBL30751420 0.80 AAK1 (0.47) FPR3FPR2AAK1KDM4ANPC1
SCHEMBL8800560 0.73 MGLL (0.38) —
SCHEMBL244455 0.72 AAK1 (0.43) FPR3FPR2AAK1IDO1NPC1
SCHEMBL506329 0.72 AAK1 (0.50) FPR3FPR2AAK1KDM4A
SCHEMBL28698326 0.72 GAA (0.45) KDM4ASMN1; SMN2GAA

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 1 patent. 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
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