SCHEMBL6532589

SCHEMBL6532589

NC(=O)C(S)Cc1cn(-c2cc(F)c(C3=CCN(C(=O)COCc4ccccc4)CC3)c(F)c2)nn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.40
GRM1 Q13255 6/20 0.38
BTK Q06187 2/20 0.36
LNPEP Q9UIQ6 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL6527651 0.88 GRM5 (0.42) GRM5GRM1DRD2DRD4DRD3
SCHEMBL6529962 0.83 GRM5 (0.39) GRM5GRM1DRD2DRD4DRD3
SCHEMBL6532170 0.76 BTK (0.33) GRM5GRM1BTK
SCHEMBL6532581 0.72 GRM5 (0.38) GRM5GRM1BTK
SCHEMBL6532521 0.69 NOTUM (0.46) GRM5GRM1BTK
SCHEMBL6533438 0.69 GRM5 (0.38) GRM5GRM1BTK
SCHEMBL6529963 0.69 GRM5 (0.37) GRM5GRM1BTK
SCHEMBL6530325 0.67 GRM1 (0.58) GRM5GRM1
SCHEMBL6529525 0.67 GRM1 (0.55) GRM5GRM1
SCHEMBL1901516 0.66 GRM5 (0.61) GRM5

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-2005082892-A2 TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-09-09 WO disclosed