SCHEMBL7538469

SCHEMBL7538469

c1nc(CC2CCCCO2)n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PDE8B O95263 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PDE9A O76083 1/20 0.34
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE6D O43924 1/20 0.33
PDE6A P16499 1/20 0.33
PDE6G P18545 1/20 0.33
PDE6B P35913 1/20 0.33
PDE6C P51160 1/20 0.33
PDE6H Q13956 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL4860246 0.78
SCHEMBL4851188 0.75 ADRA2C (0.47) HTR2AHTR2BPDE6DPDE6APDE6G
SCHEMBL7469539 0.75 ALDH1A1 (0.48) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24669516 0.72 KDM4C (0.51) NPC1RAB9A
SCHEMBL30578309 0.72 POLB (0.46) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10372740 0.71 NPC1 (0.39) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL22443353 0.70 ALDH1A1 (0.38) HPGDALDH1A1RAB9ASMN1; SMN2USP2
SCHEMBL22402987 0.70
SCHEMBL28573064 0.69 PDE8B (0.44) PDE8B
SCHEMBL1853917 0.69 HTR2A (0.36) HPGDALDH1A1HTR2AHTR2CHTR2B

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
JP-2002540107-A 2002-11-26 JP claimed
EP-1165540-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2002-01-02 EP claimed
WO-2000056727-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2000-09-28 WO claimed