SCHEMBL29232158

SCHEMBL29232158

CC(C)Cc1ccc(C#N)c(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.46
▸ NR1H2 P55055 1/20 0.45
▸ NR1H3 Q13133 1/20 0.45
▸ RET P07949 6/20 0.44
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PGGT1B P53609 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL30163917 1.00 GPR119 (0.46) GPR119NR1H2NR1H3RETTSHR
Hydrochloric Acid SCHEMBL30164052 0.93 GPR119 (0.42) GPR119NR1H2NR1H3RETTSHR
SCHEMBL24986790 0.89 GPR119 (0.49) GPR119NR1H2NR1H3RETPGGT1B
SCHEMBL30164198 0.89 GPR119 (0.49) GPR119NR1H2NR1H3RETPGGT1B
Hydrochloric Acid SCHEMBL30164036 0.83 ALDH1A1 (0.45) GPR119NR1H2NR1H3RETPGGT1B
SCHEMBL30164045 0.79 GPR119 (0.46) GPR119NR1H2NR1H3RETKCNH2
SCHEMBL24984502 0.79 GPR119 (0.46) GPR119NR1H2NR1H3RETKCNH2
SCHEMBL30163998 0.78 NR1H2 (0.45) GPR119NR1H2NR1H3RETKCNH2
SCHEMBL29232144 0.78 NR1H2 (0.45) GPR119NR1H2NR1H3RETKCNH2
SCHEMBL4573148 0.76 GRIA1 (0.49) GPR119NR1H2NR1H3RETMAPK1

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-118159530-A Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling 康福治疗有限公司 2024-06-07 — — CN disclosed
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