SCHEMBL30899642

SCHEMBL30899642

CC(C)(C)OC(=O)N1CCN(c2cnc(C3=CCN(C(=O)OCc4ccccc4)CC3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 8/20 0.51
▸ GRM1 Q13255 8/20 0.51
▸ CKS1B P61024 2/20 0.48
▸ SKP1 P63208 2/20 0.48
▸ SKP2 Q13309 2/20 0.48
▸ GPR119 Q8TDV5 2/20 0.45
▸ LNPEP Q9UIQ6 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ ACHE P22303 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ WNT3A P56704 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
SCHEMBL30366118 1.00 GRM5 (0.51) GRM5GRM1CKS1BSKP1SKP2
SCHEMBL30899634 0.88 GRM1 (0.52) GRM5GRM1GPR119LNPEPPDK4
SCHEMBL30366121 0.88 GRM1 (0.52) GRM5GRM1GPR119LNPEPPDK4
SCHEMBL30366420 0.82 NAMPT (0.52) GRM5GRM1GPR119LNPEPPDK4
SCHEMBL30913564 0.79 GRM1 (0.56) GRM5GRM1GPR119PDK4WNT3A
SCHEMBL4006887 0.79 GRM1 (0.56) GRM5GRM1GPR119PDK4WNT3A
SCHEMBL25200238 0.79 GRM1 (0.49) GRM5GRM1GPR119PDK4WNT3A
SCHEMBL30899652 0.79 GRM5 (0.44) GRM5GRM1CKS1BSKP1SKP2
SCHEMBL30365846 0.79 GRM5 (0.44) GRM5GRM1CKS1BSKP1SKP2
SCHEMBL31198740 0.79 GRM5 (0.52) GRM5GRM1LNPEPMEN1KMT2A

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
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