SCHEMBL8613189

SCHEMBL8613189

CC(C)(C)OC(=O)N1CC=C(c2cnnn2-c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.62
GRM5 P41594 11/20 0.62
PDK4 Q16654 1/20 0.52
NAMPT P43490 1/20 0.48
HTR6 P50406 1/20 0.48
TNK2 Q07912 1/20 0.45
BTK Q06187 1/20 0.45
EED O75530 2/20 0.44
RBBP4 Q09028 2/20 0.44
SUZ12 Q15022 2/20 0.44
EZH2 Q15910 2/20 0.44
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL2893158 0.80 GRM1 (0.69) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL2239831 0.79 NAMPT (0.66) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL2893091 0.78 GRM1 (0.61) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL19989639 0.77 NAMPT (0.67) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL2885677 0.77 GRM1 (0.65) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL8614176 0.77 GRM1 (1.00) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL20217955 0.76 GRM1 (0.56) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL513799 0.76 GPR119 (0.47) GRM1GRM5GPR119
SCHEMBL23505457 0.75 GRM1 (0.55) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL24330035 0.74 PDK4 (0.52) GRM1GRM5PDK4NAMPTHTR6

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-5712285-A Pyrrolo-pyridine derivatives MERCK, SHARP & DOHME, LTD. (GB) 1998-01-27 US disclosed