SCHEMBL7580846

SCHEMBL7580846

Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(SC(F)F)cc3)cc2)CO1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NOS3 P29474 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CYP2D6 P10635 1/20 0.32

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
SCHEMBL8415993 1.00 TAAR1 (0.40) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL84222 0.83 TAAR1 (0.40) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL7583557 0.82 NPC1 (0.39) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL83319 0.81 NPC1 (0.46) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL8165766 0.81 MAPT (0.46) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL8164187 0.81 MAPT (0.46) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL6967654 0.81 TAAR1 (0.44) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL83507 0.81 NPC1 (0.47) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL8415982 0.80 MAPT (0.42) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL7583720 0.80 MAPT (0.42) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0939755-B1 OXAZOLINE ARTHROPODICIDES PURDUE RESEARCH FOUNDATION (US) 2002-10-09 EP claimed
US-6107319-A PESTICIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-22 US claimed
EP-0939755-A1 OXAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-08 EP claimed
WO-1997026249-A1 OXAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-07-24 WO claimed
EP-0939755-B1 OXAZOLINE ARTHROPODICIDES PURDUE RESEARCH FOUNDATION (US) 2002-10-09 EP disclosed
US-6107319-A PESTICIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-22 US disclosed
US-6063932-A Process and intermediates for the preparation of oxazoline derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-16 US disclosed
EP-0939755-A1 OXAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-08 EP disclosed
EP-0938481-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF OXAZOLINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-01 EP disclosed
WO-1998022448-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF OXAZOLINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-05-28 WO disclosed
WO-1997026249-A1 OXAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-07-24 WO disclosed