SCHEMBL30899634

SCHEMBL30899634

CC(C)(C)OC(=O)N1CCN(c2ccc(C3=CCN(C(=O)OCc4ccccc4)CC3)nc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 10/20 0.52
▸ GRM5 P41594 10/20 0.52
▸ GPR119 Q8TDV5 2/20 0.49
▸ WNT3A P56704 1/20 0.46
▸ LNPEP Q9UIQ6 1/20 0.45
▸ TMEM97 Q5BJF2 2/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ ACHE P22303 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
SCHEMBL30366121 1.00 GRM1 (0.52) GRM1GRM5GPR119WNT3ALNPEP
SCHEMBL30899642 0.88 GRM5 (0.51) GRM1GRM5GPR119WNT3ALNPEP
SCHEMBL30366118 0.88 GRM5 (0.51) GRM1GRM5GPR119WNT3ALNPEP
SCHEMBL30366420 0.87 NAMPT (0.52) GRM1GRM5GPR119LNPEPTMEM97
SCHEMBL30365846 0.84 GRM5 (0.44) GRM1GRM5GPR119LNPEPTMEM97
SCHEMBL30899652 0.84 GRM5 (0.44) GRM1GRM5GPR119LNPEPTMEM97
SCHEMBL25319048 0.83 GRM1 (0.56) GRM1GRM5GPR119WNT3APDK4
SCHEMBL29475585 0.83 GRM1 (0.56) GRM1GRM5GPR119WNT3APDK4
SCHEMBL4006887 0.83 GRM1 (0.56) GRM1GRM5GPR119WNT3APDK4
SCHEMBL30913564 0.83 GRM1 (0.56) GRM1GRM5GPR119WNT3APDK4

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
CN-118076604-A Pyrazolo [3,4-b ] pyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-05-24 — — CN disclosed
Send feedback