SCHEMBL30740812

SCHEMBL30740812

Cc1ccc(N(C)c2cccc(CC3CCCCN3C(=O)OC(C)(C)C)c2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 6/20 0.41
▸ HCRTR2 O43614 6/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NR1H2 P55055 2/20 0.40
▸ NR1H3 Q13133 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ AHCY P23526 1/20 0.39
▸ PDE7B Q9NP56 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.38
▸ OPRK1 P41145 1/20 0.37
▸ IL1B P01584 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ABHD6 Q9BV23 1/20 0.36
▸ DAGLA Q9Y4D2 1/20 0.36

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
SCHEMBL29826264 0.83 GPR119 (0.45) MAPTLMNA
SCHEMBL30740843 0.82 NPSR1 (0.39) NPSR1MAPTLMNAAHCYUSP30
SCHEMBL8220549 0.78 USP30 (0.47) HCRTR1HCRTR2CYP3A4DPP4NPSR1
SCHEMBL10132370 0.77 ALDH1A1 (0.50) HCRTR1HCRTR2DPP4NPSR1MAPT
SCHEMBL20828162 0.76 GPR119 (0.48) HCRTR1HCRTR2CYP3A4NPSR1MAPT
SCHEMBL14939652 0.76 NR1H2 (0.46) HCRTR1HCRTR2CYP3A4DPP4NPSR1
SCHEMBL14939654 0.76 NR1H2 (0.46) HCRTR1HCRTR2CYP3A4DPP4NPSR1
SCHEMBL10132428 0.75 LMNA (0.51) HCRTR1HCRTR2NPSR1MAPTLMNA
SCHEMBL30740844 0.74 PARP1 (0.44) HCRTR1HCRTR2CYP3A4DPP4NPSR1
SCHEMBL29825954 0.74 MEN1 (0.47) USP30KDM1A

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-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 — — CN disclosed
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