SCHEMBL30940693

SCHEMBL30940693

CC(C)(C)OC(=O)N1CC=C(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.54
GRM5 P41594 11/20 0.54
WNT3A P56704 1/20 0.51
PDK4 Q16654 1/20 0.48
SCN9A Q15858 1/20 0.46
KIT P10721 1/20 0.46
NAMPT P43490 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL24968395 1.00 GRM1 (0.54) GRM1GRM5WNT3APDK4SCN9A
SCHEMBL20266499 0.86 GRM1 (0.64) GRM1GRM5WNT3APDK4KIT
SCHEMBL903903 0.85 GRM1 (0.56) GRM1GRM5WNT3APDK4NAMPT
SCHEMBL24962318 0.85 GRM1 (0.52) GRM1GRM5PDK4KITNAMPT
SCHEMBL976835 0.84 GRM1 (0.55) GRM1GRM5WNT3APDK4NAMPT
SCHEMBL29746802 0.84 GRM1 (0.55) GRM1GRM5WNT3APDK4NAMPT
SCHEMBL29907164 0.84 GRM1 (0.55) GRM1GRM5WNT3APDK4NAMPT
SCHEMBL31039781 0.84 GRM1 (0.55) GRM1GRM5WNT3APDK4NAMPT
SCHEMBL13096687 0.84 GRM1 (0.55) GRM1GRM5WNT3APDK4NAMPT
SCHEMBL30198712 0.84 GRM1 (0.55) GRM1GRM5WNT3APDK4NAMPT

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
EP-4378938-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-06-05 EP disclosed