SCHEMBL7761104

SCHEMBL7761104

CC(C)(C)c1ccc(C2COC(c3c(F)c(F)cc(F)c3F)=N2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL29605577 0.81 MAPT (0.38) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL394140 0.81 MAPT (0.38) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31323968 0.77 ALDH1A1 (0.38) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6600450 0.75 NOS3 (0.35) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23178711 0.73 ALDH1A1 (0.41) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7812537 0.71 TAAR1 (0.35) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6706335 0.71 TAAR1 (0.63) TAAR1
SCHEMBL84221 0.71 TAAR1 (0.43) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6602644 0.71 NPSR1 (0.38) MAPTALDH1A1RAB9ASLC6A2SLC6A4
SCHEMBL6254533 0.71 NOS3 (0.38) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740661-B1 DIPHENYL OXAZOLINE DERIVATIVES BAYER AG (DE) 2001-04-18 EP disclosed
US-6051589-A USED AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2000-04-18 US disclosed
EP-0831704-A1 USE OF OXAZOLINES FOR COMBATTING ECTOPARASITES BAYER AG (DE) 1998-04-01 EP disclosed
WO-1996041534-A1 USE OF OXAZOLINES FOR COMBATTING ECTOPARASITES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-27 WO disclosed
CN-1138854-A Diphenyl oxazoline derivatives BAYER AG (DE) 1996-12-25 CN disclosed
EP-0740661-A1 DIPHENYL OXAZOLINE DERIVATIVES BAYER AG (DE) 1996-11-06 EP disclosed
WO-1995019350-A1 DIPHENYL OXAZOLINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1995-07-20 WO disclosed