SCHEMBL9753945

SCHEMBL9753945

CCOC(=O)[C@H](CCc1ccccc1)CC1(C(=O)NC2(C(=O)O)Cc3ccccc3C2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.51
CXCR5 P32302 5/20 0.40
CXCR2 P25025 1/20 0.39

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
SCHEMBL9753811 0.88 MME (0.59) MME
SCHEMBL9753807 0.88 MME (0.59) MME
SCHEMBL9753816 0.88 MME (0.59) MME
SCHEMBL8894558 0.83 MME (0.48) MME
SCHEMBL8733280 0.83 MME (0.48) MME
SCHEMBL9753887 0.79 MME (0.63) MME
SCHEMBL9753880 0.79 MME (0.63) MME
SCHEMBL9753884 0.79 MME (0.63) MME
SCHEMBL9753708 0.77 MME (0.48) MMECXCR5
SCHEMBL9753713 0.77 MME (0.48) MMECXCR5

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-1991010644-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-07-25 WO disclosed