SCHEMBL5733006

SCHEMBL5733006

O=C(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HSD11B1 P28845 2/20 0.45
MGLL Q99685 1/20 0.44
CXCR2 P25025 2/20 0.43
POLB P06746 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAOB P27338 1/20 0.42
CXCR1 P25024 1/20 0.42
SRD5A2 P31213 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 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
SCHEMBL200602 0.79 RAB9A (0.41) RAB9ASRD5A2DRD2DRD1DRD4
SCHEMBL840762 0.79 KMT2A (0.50) NPC1RAB9ACXCR2ALDH1A1CXCR1
SCHEMBL3668194 0.79 STS (0.60) HSD11B1CXCR2CXCR1SRD5A2ELANE
SCHEMBL6140623 0.78 HSD11B1 (0.66) NPC1RAB9AHSD11B1MGLLPOLB
SCHEMBL9576610 0.78 SRD5A2 (0.40) NPC1RAB9AHSD11B1MGLLSRD5A2
SCHEMBL9576618 0.77 SRD5A2 (0.43) NPC1RAB9AHSD11B1HRH3MAOB
SCHEMBL576035 0.76 CA2 (0.50) HSD11B1CXCR2CXCR1DRD2DRD1
SCHEMBL1713127 0.76 STS (0.62) RAB9AHSD11B1CXCR2POLBMAOB
SCHEMBL27456837 0.76 MEN1 (0.43) HSD11B1MGLLLMNADRD2DRD1
SCHEMBL4775951 0.76 TDP1 (0.41) HSD11B1ALDH1A1DRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006034092-A2 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES AMR TECHNOLOGY, INC. (US) 2006-03-30 WO disclosed
WO-2006034091-A2 PROCESS FOR PRODUCTION OF CAREBASTINE AMR TECHNOLOGY, INC. (US) 2006-03-30 WO disclosed