SCHEMBL7422200

SCHEMBL7422200

CC(C)CC(C(=O)O)N(CCc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL7379194 0.83 ACE2 (0.42)
SCHEMBL7424796 0.79 HPGD (0.38)
SCHEMBL4445860 0.79 NR1D1 (0.44)
SCHEMBL4445852 0.79 NR1D1 (0.44)
SCHEMBL7420384 0.78 MMP12 (0.46) TSHR
SCHEMBL7427409 0.78 MMP12 (0.46) TSHR
SCHEMBL7418698 0.78 MCHR1 (0.41)
SCHEMBL7425601 0.78 MCHR1 (0.50)
SCHEMBL7379705 0.78 KCNH2 (0.36) KCNH2
SCHEMBL7423137 0.77 FFAR1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed