SCHEMBL989161

SCHEMBL989161

CC(C)(CCn1cnc(-c2cccnc2)c1)NCC(=O)N1CCCC1C#N.CS(=O)(=O)O

nearest known ligand 0.51

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.51
DPP8 Q6V1X1 4/20 0.49
DPP9 Q86TI2 4/20 0.49
DPP7 Q9UHL4 2/20 0.49
FAP Q12884 1/20 0.46
PREP P48147 1/20 0.46

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
SCHEMBL14634591 1.00 DPP4 (0.51) DPP4DPP8DPP9DPP7FAP
SCHEMBL2553750 0.97 DPP4 (0.54) DPP4DPP8DPP9DPP7FAP
SCHEMBL29918628 0.97 DPP4 (0.54) DPP4DPP8DPP9DPP7FAP
SCHEMBL195631 0.97 DPP4 (0.54) DPP4DPP8DPP9DPP7FAP
Fumaric Acid SCHEMBL2932668 0.93 DPP4 (0.51) DPP4DPP8DPP9DPP7FAP
Fumaric Acid SCHEMBL4968150 0.93 DPP4 (0.51) DPP4DPP8DPP9DPP7FAP
Fumaric Acid SCHEMBL1038512 0.93 DPP4 (0.51) DPP4DPP8DPP9DPP7FAP
Fumaric Acid SCHEMBL874060 0.93 DPP4 (0.51) DPP4DPP8DPP9DPP7FAP
SCHEMBL1436475 0.89 DPP4 (0.62) DPP4DPP8DPP9DPP7PREP
SCHEMBL665960 0.89 DPP4 (0.62) DPP4DPP8DPP9DPP7PREP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011005929-A1 PIPERIDINE DERIVATIVE AND ITS USE FOR THE TREATMENT OF DIABETS AND OBESITY ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 WO disclosed