SCHEMBL8166206

SCHEMBL8166206

O=C(OCc1ccccc1)N1CCC(c2nc(CO)c(-c3ccc(F)cc3F)o2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.45
TRPC7 Q9HCX4 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP2C19 P33261 1/20 0.43
GRIN2B Q13224 10/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 3/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8174942 0.89 ADRA1D (0.45) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL8166072 0.87 TRPC3 (0.45) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL8174460 0.81 TRPC3 (0.52) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL2860117 0.79 SMN1; SMN2 (0.53) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL27763184 0.73 SMN1; SMN2 (0.50) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL1652086 0.72 GRIN2B (0.52) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL3107460 0.71 GRIN2B (0.50) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL8175103 0.71 TRPC3 (0.49) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL28776231 0.71 GRIN2B (0.47) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL8174185 0.70 LMNA (0.45) SMN1; SMN2HTTMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090825-A Oxazole derivatives as antagonists of alpha 1C andrenergic receptors GLAXO WELLCOME INC. (US) 2000-07-18 US disclosed
EP-0793658-A1 OXAZOLE DERIVATIVES AS ANTAGONISTS OF ALPHA-1C ADRENERGIC RECEPTORS GLAXO WELLCOME INC. (US) 1997-09-10 EP disclosed
WO-1996016049-A1 OXAZOLE DERIVATIVES AS ANTAGONISTS OF α-1C ADRENERGIC RECEPTORS GLAXO WELLCOME INC. (US) 1996-05-30 WO disclosed