SCHEMBL5634875

SCHEMBL5634875

CNC(=O)CC(C(=O)O)c1ccc(OC(=O)c2ccc(N(C)C(=N)N)cc2)cc1.CS(=O)(=O)O

nearest known ligand 0.46

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 14)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 3/20 0.38
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.44
PRSS1 P07477 12/20 0.40
KLK1 P06870 4/20 0.40
TMPRSS15 P98073 8/20 0.39
ACR P10323 2/20 0.39
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FTO Q9C0B1 1/20 0.37
C1R P00736 1/20 0.36
F10 P00742 1/20 0.36
KLKB1 P03952 1/20 0.36

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
SCHEMBL7309972 0.85 MAPT (0.47) MAPTPOLBPRSS1KLK1TMPRSS15
SCHEMBL1645315 0.80 MAPT (0.51) MAPTPOLBPRSS1TMPRSS15ACR
SCHEMBL5177919 0.79 PRSS1 (0.37) MAPTPRSS1KLK1TMPRSS15ACR
SCHEMBL1399027 0.76 PRSS1 (0.43) PRSS1KLK1TMPRSS15ACRF2
SCHEMBL2917664 0.75 ACR (0.40) MAPTPRSS1KLK1TMPRSS15ACR
SCHEMBL7309976 0.74 KMT2A (0.38) MAPTPOLBPRSS1KLK1TMPRSS15
SCHEMBL1399029 0.71 KMT2A (0.44) PRSS1KLK1TMPRSS15ACRF2
SCHEMBL4597132 0.70 MAPT (0.41) MAPTPRSS1TMPRSS15ACRF2
SCHEMBL4099466 0.69 GAA (0.49) ALDH1A1GAAL3MBTL1
SCHEMBL11305079 0.68 ALDH1A1 (0.47) MAPTPOLBPRSS1KLK1TMPRSS15

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
US-7229966-B2 Compositions and methods for enhanced mucosal delivery of Y2 receptor-binding peptides and methods for treating and preventing obesity NASTECH PHARMACEUTICAL COMPANY INC. (US) 2007-06-12 US disclosed