SCHEMBL30479071

SCHEMBL30479071

COc1cccc(C(=O)NC2CC3(CCN(CC4CCNCC4)CC3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ CCR3 P51677 1/20 0.47
▸ KDM2B Q8NHM5 2/20 0.47
▸ USP2 O75604 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GRM5 P41594 1/20 0.46
▸ DRD4 P21917 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM5A P29375 1/20 0.45
▸ CHRM3 P20309 1/20 0.44

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
SCHEMBL30938305 0.85 MCHR1 (0.56) MCHR1ALDH1A1TSHRLMNACCR3
SCHEMBL30923249 0.84 GRM5 (0.53) MCHR1ALDH1A1TSHRLMNAGRM5
SCHEMBL30564259 0.81 ALDH1A1 (0.56) MCHR1ALDH1A1TSHRLMNACCR3
SCHEMBL1711687 0.78 ALDH1A1 (0.63) MCHR1ALDH1A1TSHRLMNAGRM5
SCHEMBL29530916 0.78 ALDH1A1 (0.63) MCHR1ALDH1A1TSHRLMNAGRM5
SCHEMBL30923253 0.78 DDB1 (0.42) MCHR1ALDH1A1TSHRLMNACCR3
SCHEMBL30479041 0.78 POLB (0.40) MCHR1ALDH1A1TSHRLMNACCR3
Hydrochloric Acid SCHEMBL31722313 0.77 ALDH1A1 (0.62) MCHR1ALDH1A1TSHRLMNAGRM5
SCHEMBL31487395 0.77 CCR3 (0.39) MCHR1ALDH1A1TSHRLMNACCR3
SCHEMBL31487411 0.77 MCHR1 (0.39) MCHR1ALDH1A1TSHRLMNACCR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076607-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 — — CN disclosed
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 — — CN disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 — — CN disclosed
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