SCHEMBL30801215

SCHEMBL30801215

O=CC1CCN(c2ccc(-n3ccc(=O)[nH]c3=O)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.39
▸ MCHR1 Q99705 7/20 0.39
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ MAPT P10636 5/20 0.37
▸ DGAT1 O75907 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL29207728 1.00 GPR119 (0.39) GPR119MCHR1DDB1CRBNMAPT
SCHEMBL26113213 0.83 PDE10A (0.43) GPR119MCHR1DDB1CRBNMAPT
SCHEMBL22119850 0.81 GPR119 (0.54) GPR119MCHR1DDB1CRBNMAPT
Hydrochloric Acid SCHEMBL28627284 0.80 GPR119 (0.53) GPR119MCHR1DDB1CRBNMAPT
SCHEMBL22119864 0.76 ALDH1A1 (0.49) DDB1CRBNMAPT
SCHEMBL23816515 0.74 CRBN (0.45) GPR119DDB1CRBN
SCHEMBL30064072 0.74 CRBN (0.45) GPR119DDB1CRBN
SCHEMBL24670654 0.71 AKR1C3 (0.48) GPR119MAPT
SCHEMBL10224799 0.71 GPR119 (0.53) GPR119MAPT
SCHEMBL24735177 0.71 MAPT (0.40) GPR119MAPT

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-117693502-A Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same 纽力克斯治疗公司 2024-03-12 — — CN disclosed
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