SCHEMBL6421368

SCHEMBL6421368

CC(C)(C)OC(=O)N1CCN(C2CCCCc3ccccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.50
NAMPT P43490 2/20 0.47
GPR119 Q8TDV5 1/20 0.47
HTR2C P28335 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MTNR1B P49286 1/20 0.46
KDM1A O60341 1/20 0.46
TERT O14746 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD3 P35462 2/20 0.44
HTR1A P08908 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
MAPK1 P28482 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43

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
SCHEMBL6423382 0.96 CHRNA7 (0.51) CHRNA7NAMPTGPR119HTR2CNPC1
SCHEMBL6421245 0.93 NAMPT (0.49) CHRNA7NAMPTGPR119MTNR1BTERT
SCHEMBL12340705 0.82 NAMPT (0.43) CHRNA7NAMPTGPR119MTNR1BKDM1A
SCHEMBL9282435 0.82 POLB (0.56) CHRNA7HTR2CMTNR1BDRD3HTR1A
SCHEMBL6405918 0.81 MTNR1B (0.54) NPC1RAB9AMTNR1B
SCHEMBL6421803 0.81 GPR119 (0.46) NAMPTGPR119MTNR1BTERTCHRM2
SCHEMBL6425809 0.81 GPR119 (0.47) NAMPTGPR119NPC1RAB9ATERT
SCHEMBL6421652 0.81 GPR119 (0.47) NAMPTGPR119NPC1RAB9AMTNR1B
SCHEMBL22053182 0.80 CHRNA7 (0.57) CHRNA7HTR2CMTNR1BDRD3HTR1A
SCHEMBL31011171 0.80 CHRNA7 (0.57) CHRNA7HTR2CMTNR1BDRD3HTR1A

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
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed