SCHEMBL7836767

SCHEMBL7836767

Cc1[nH]c2ccc(OCCCc3ccccc3)cc2c1CC[C@H](CO)n1cnc(C(N)=O)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADA P00813 18/20 0.68
TRPM8 Q7Z2W7 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
SCHEMBL7850071 0.90 ADA (0.56) ADATRPM8
SCHEMBL7847452 0.89 ADA (0.67) ADA
SCHEMBL7848353 0.83 ADA (0.62) ADA
SCHEMBL7848394 0.82 ADA (0.53) ADA
SCHEMBL6940649 0.81 ADA (1.00) ADA
SCHEMBL7846259 0.79 ADA (0.55) ADA
Fr-221647 SCHEMBL7659103 0.76 ADA (1.00) ADA
SCHEMBL6935884 0.75 ADA (1.00) ADA
SCHEMBL6936385 0.75 ADA (1.00) ADA
SCHEMBL6941844 0.73 ADA (1.00) ADA

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
EP-1161429-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-12 EP disclosed
WO-2000055155-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-21 WO disclosed