SCHEMBL7837633

SCHEMBL7837633

N#Cc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AR P10275 1/20 0.39
RORC P51449 1/20 0.36
NOS3 P29474 1/20 0.35
KDM1A O60341 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 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
SCHEMBL8656596 0.83 MAPT (0.39) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL8165766 0.83 MAPT (0.46) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL83319 0.83 NPC1 (0.46) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL8164187 0.83 MAPT (0.46) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL6967654 0.83 TAAR1 (0.44) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL83780 0.82 PDE3B (0.34) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL83782 0.82 GRIN1 (0.35) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8818079 0.82 NOS3 (0.45) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL7830027 0.82 MAPT (0.44) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL23178714 0.81 ALDH1A1 (0.35) NPC1RAB9AMAPTALDH1A1SMN1; 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-0712394-B1 ARTHROPODICIDAL OXAZOLINES AND THIAZOLINES DU PONT (US) 2001-11-28 EP claimed
US-5686393-A Arthropodicidal oxazolines and thiazolines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-11 US claimed
EP-0712394-A1 ARTHROPODICIDAL OXAZOLINES AND THIAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-05-22 EP claimed
WO-1995004726-A1 ARTHROPODICIDAL OXAZOLINES AND THIAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-02-16 WO claimed
EP-0712394-B1 ARTHROPODICIDAL OXAZOLINES AND THIAZOLINES DU PONT (US) 2001-11-28 EP disclosed
US-5767281-A Arthropodicidal oxazolines and thiazolines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-16 US disclosed
US-5686393-A Arthropodicidal oxazolines and thiazolines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-11 US disclosed