SCHEMBL8175103

SCHEMBL8175103

O=C(OCc1ccccc1)N1CCC(c2nc(COCC(F)(F)F)c(-c3ccc(Cl)cc3)o2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 0.49
TRPC7 Q9HCX4 2/20 0.49
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP2C19 P33261 1/20 0.42
GRIN2B Q13224 5/20 0.41
GPR119 Q8TDV5 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
FAAH O00519 2/20 0.40
USP30 Q70CQ3 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL8174460 0.87 TRPC3 (0.52) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL8174942 0.84 ADRA1D (0.45) TRPC3TRPC7ADRA1DADRA1AADRA1B
SCHEMBL8166223 0.82 ADRA1D (0.47) ADRA1DADRA1AADRA1BSMN1; SMN2FAAH
SCHEMBL27763184 0.81 SMN1; SMN2 (0.50) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL8178641 0.81 ADRA1D (0.49) ADRA1DADRA1AADRA1BCYP2C9
SCHEMBL3100028 0.79 CETP (0.47) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL3097583 0.79 TRPC3 (0.50) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL2712215 0.79 TNKS (0.53) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
Trifluoroacetic Acid SCHEMBL8166220 0.78 ADRA1D (0.42) ADRA1DADRA1AADRA1BSMN1; SMN2CYP2C19
SCHEMBL8166794 0.78 ADRA1D (0.57) ADRA1DADRA1AADRA1BSMN1; SMN2FAAH

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