SCHEMBL6967654

SCHEMBL6967654

Oc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOS3 P29474 1/20 0.37
KDM1A O60341 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CYP2D6 P10635 1/20 0.35

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
SCHEMBL23178803 0.96 MAPT (0.41) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL8164187 0.86 MAPT (0.46) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL83319 0.86 NPC1 (0.46) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL8165766 0.86 MAPT (0.46) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL7091813 0.85 TAAR1 (0.39) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL84221 0.84 TAAR1 (0.43) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL8773917 0.83 TAAR1 (0.40) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL8773920 0.83 TAAR1 (0.40) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL7837633 0.83 TAAR1 (0.42) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL6980670 0.83 NPC1 (0.66) TAAR1NPC1RAB9AMAPTALDH1A1

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-0861239-B1 BIPHENYL ETHER OXAZOLINES AND THEIR USE AS PEST-CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2003-02-12 EP disclosed
US-6414000-B1 A 2-OXAZOLINE COMPOUND CONTAINING PHENYL RINGS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
US-6211214-B1 PESTICIDES, INSECTICIDES OR MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
EP-0980361-A1 SUBSTITUTED DIPHENYL OXAZOLIN DERIVATIVES WITH INSECTICIDAL EFFECT BAYER AG (DE) 2000-02-23 EP disclosed
WO-1998047881-A1 SUBSTITUTED DIPHENYL OXAZOLIN DERIVATIVES WITH INSECTICIDAL EFFECT BAYER AKTIENGESELLSCHAFT (DE) 1998-10-29 WO disclosed
EP-0861239-A1 BIPHENYL ETHER OXAZOLINES AND THEIR USE AS PEST-CONTROL AGENTS BAYER AG (DE) 1998-09-02 EP disclosed
WO-1997019067-A1 BIPHENYL ETHER OXAZOLINES AND THEIR USE AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-05-29 WO disclosed