SCHEMBL4972171

SCHEMBL4972171

O=CCc1ccccc1-c1nc(C(=O)N2CCC(c3cccnc3)C2)cs1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.44
NAMPT P43490 1/20 0.43
HSD11B1 P28845 4/20 0.42
SCD5 Q86SK9 6/20 0.41
SCD O00767 2/20 0.41
HTR2C P28335 4/20 0.41
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APLNR P35414 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38

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
SCHEMBL4970437 0.91 SCD5 (0.49) SCD5SCDHTR2CNPC1MAPT
SCHEMBL5660759 0.83 SPR (0.46) SPRNAMPTHSD11B1SCD5SCD
SCHEMBL4974911 0.81 HTR2C (0.64) SPRNAMPTHSD11B1SCD5SCD
SCHEMBL4970419 0.79 HTR2C (0.46) HTR2CNPC1RAB9A
SCHEMBL4971657 0.79 HTR2C (0.44) HTR2C
SCHEMBL4973462 0.79 HTR2C (0.60) HTR2CNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4974086 0.79 HTR2C (0.60) HTR2CNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4971490 0.77 HTR2C (0.42) SPRHSD11B1SCD5SCDHTR2C
SCHEMBL4973107 0.73 APLNR (0.48) SPRNAMPTAPLNRPIM1PIM3
SCHEMBL4973944 0.73 HPGD (0.42) HTR2CNPC1MAPTRAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed