SCHEMBL6421803

SCHEMBL6421803

CC(C)(C)OC(=O)N1CCN(C2CCCC(=O)c3ccccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.46
POLB P06746 1/20 0.45
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
TERT O14746 1/20 0.43
DTYMK P23919 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MTNR1B P49286 1/20 0.42
PDK4 Q16654 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.41
IDO1 P14902 3/20 0.41
NAMPT P43490 1/20 0.41

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 0.85 CHRNA7 (0.51) GPR119OPRM1TERTCHRM2CHRM4
SCHEMBL6421368 0.81 CHRNA7 (0.50) GPR119OPRM1OPRD1TERTCHRM2
SCHEMBL6421245 0.81 NAMPT (0.49) GPR119TERTCHRM2CHRM4CHRM1
SCHEMBL18703634 0.78 HPGD (0.48) GPR119KDM4EHPGD
SCHEMBL6425809 0.77 GPR119 (0.47) GPR119TERTDTYMKCHRM2CHRM4
SCHEMBL6422733 0.76 GPR119 (0.46) GPR119TERTDTYMKCHRM2CHRM4
SCHEMBL6405918 0.75 MTNR1B (0.54) MTNR1BPDK4
SCHEMBL29144464 0.74 OPRM1 (0.54) GPR119POLBOPRM1OPRD1OGFRL1
SCHEMBL6421652 0.74 GPR119 (0.47) GPR119MTNR1BNAMPT
SCHEMBL12340705 0.74 NAMPT (0.43) GPR119OPRM1OPRD1TERTMTNR1B

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