SCHEMBL30740730

SCHEMBL30740730

CC(C)(C)OC(=O)N1CCCCC1Oc1cccc(COc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 6/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ EPHA2 P29317 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.39
▸ UCHL1 P09936 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL29826265 0.85 CACNB4 (0.49) MRGPRX4
SCHEMBL30745366 0.83 MRGPRX4 (0.49) MRGPRX4ALDH1A1TSHRHTTLMNA
SCHEMBL30740814 0.82 GPR119 (0.42) —
SCHEMBL30740852 0.81 HSD11B1 (0.41) ALDH1A1TSHRLMNAMEN1MAPT
SCHEMBL24793341 0.77 MRGPRX4 (0.48) MRGPRX4ALDH1A1MEN1MAPTKMT2A
SCHEMBL27168908 0.77 MRGPRX4 (0.48) MRGPRX4ALDH1A1MEN1MAPTKMT2A
SCHEMBL30745379 0.77 MRGPRX4 (0.47) MRGPRX4ALDH1A1TSHRHTTLMNA
SCHEMBL30740732 0.76 MRGPRX4 (0.45) MRGPRX4ALDH1A1TSHRLMNAEPHA2
SCHEMBL30740829 0.76 LMNA (0.46) ALDH1A1LMNAMEN1KMT2AEPHA2
SCHEMBL30745367 0.76 ALDH1A1 (0.49) MRGPRX4ALDH1A1TSHRHTTLMNA

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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