SCHEMBL6422733

SCHEMBL6422733

CC(C)(C)OC(=O)N1CCN(C2CCOc3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
OPRL1 P41146 3/20 0.44
TERT O14746 1/20 0.44
USP30 Q70CQ3 1/20 0.43
DPP4 P27487 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
NAMPT P43490 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
DTYMK P23919 1/20 0.41
STS P08842 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
SCHEMBL13506434 0.84 CNR1 (0.49) SMN1; SMN2STS
SCHEMBL13505574 0.84 USP30 (0.41) GPR119USP30USP2SMN1; SMN2ALDH1A1
SCHEMBL3951163 0.83 HTR6 (0.63) GPR119CHRM2USP30STS
SCHEMBL13506131 0.83 MAPT (0.47) GPR119STS
SCHEMBL13506540 0.82 IRAK4 (0.48) GPR119
SCHEMBL7814725 0.81 POLB (0.54) OPRL1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL13506484 0.81 GPR119 (0.41) GPR119TERTSTS
SCHEMBL6421245 0.80 NAMPT (0.49) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL1514865 0.79 USP2 (0.49) GPR119KDM4EUSP2SMN1; SMN2ALDH1A1
SCHEMBL13505933 0.79 STS (0.43) GPR119USP2SMN1; SMN2ALDH1A1STS

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 5 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
CN-1129578-C Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA (JP) 2003-12-03 CN disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
CN-1286683-A Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA (JP) 2001-03-07 CN disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed