SCHEMBL7704866

SCHEMBL7704866

CCC(=S)N1CC=C(c2ccc(N3C[C@H](CCC(N)=O)OC3=O)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.41
SIGMAR1 Q99720 1/20 0.41
F10 P00742 6/20 0.37

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
SCHEMBL7704865 0.85 SIGMAR1 (0.41) GRM2SIGMAR1F10
SCHEMBL7520237 0.84 F10 (0.49) F10
SCHEMBL8024149 0.83 SIGMAR1 (0.43) GRM2SIGMAR1F10
SCHEMBL8024076 0.78 GRM2 (0.43) GRM2F10
SCHEMBL8013254 0.76 GRM2 (0.42) GRM2SIGMAR1F10
SCHEMBL7153924 0.76 GRM2 (0.42) GRM2SIGMAR1F10
SCHEMBL12665391 0.75 SIGMAR1 (0.47) GRM2SIGMAR1F10
SCHEMBL8646551 0.74 MAOA (0.46) F10
SCHEMBL3567689 0.74 GRM2 (0.47) GRM2F10
SCHEMBL3567695 0.74 GRM2 (0.47) GRM2F10

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-6365751-B1 ACTIVE AGAINST GRAM-POSITIVE BACTERIA, IN PARTICULAR, AGAINST STRAINS RESISTANT TO VANCOMYCIN, AMINOGLYCOSIDES AND PENCILLINS AND DERIVATIVES; NONTOXIC ZENECA LTD. (GB) 2002-04-02 US disclosed