SCHEMBL7704865

SCHEMBL7704865

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
GRM2 Q14416 12/20 0.39
KHK P50053 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
F10 P00742 3/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL8024149 0.87 SIGMAR1 (0.43) SIGMAR1GRM2MEN1KMT2AF10
SCHEMBL7704866 0.85 GRM2 (0.41) SIGMAR1GRM2F10
SCHEMBL7520241 0.84 MAOA (0.48) F10
SCHEMBL8024076 0.78 GRM2 (0.43) GRM2F10
SCHEMBL8013254 0.76 GRM2 (0.42) SIGMAR1GRM2F10
SCHEMBL7153924 0.76 GRM2 (0.42) SIGMAR1GRM2F10
SCHEMBL7710710 0.76 MAOA (0.48)
SCHEMBL8646554 0.75 MAOA (0.45) F10
SCHEMBL6400506 0.74 MAOA (0.49) F10
SCHEMBL6400513 0.74 MAOA (0.49) F10

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