SCHEMBL30899652

SCHEMBL30899652

C=Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cnc1C1=CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.44
▸ GRM1 Q13255 4/20 0.44
▸ LNPEP Q9UIQ6 1/20 0.43
▸ GPR119 Q8TDV5 2/20 0.43
▸ CKS1B P61024 2/20 0.43
▸ SKP1 P63208 2/20 0.43
▸ SKP2 Q13309 2/20 0.43
▸ TMEM97 Q5BJF2 3/20 0.41
▸ SIGMAR1 Q99720 3/20 0.41
▸ BTK Q06187 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ PDK4 Q16654 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTR6 P50406 1/20 0.40

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
SCHEMBL30365846 1.00 GRM5 (0.44) GRM5GRM1LNPEPGPR119CKS1B
SCHEMBL30366121 0.84 GRM1 (0.52) GRM5GRM1LNPEPGPR119TMEM97
SCHEMBL30899634 0.84 GRM1 (0.52) GRM5GRM1LNPEPGPR119TMEM97
SCHEMBL30899653 0.82 GRM5 (0.48) GRM5LNPEPTMEM97SIGMAR1BTK
SCHEMBL30365855 0.82 GRM5 (0.48) GRM5LNPEPTMEM97SIGMAR1BTK
SCHEMBL30366420 0.81 NAMPT (0.52) GRM5GRM1LNPEPGPR119TMEM97
SCHEMBL30366118 0.79 GRM5 (0.51) GRM5GRM1LNPEPGPR119CKS1B
SCHEMBL30899642 0.79 GRM5 (0.51) GRM5GRM1LNPEPGPR119CKS1B
SCHEMBL5455714 0.74 NAMPT (0.53) GRM5GRM1LNPEPGPR119TMEM97
SCHEMBL5456675 0.73 TMEM97 (0.70) TMEM97SIGMAR1

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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