SCHEMBL31288129

SCHEMBL31288129

CCC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.38
▸ SIGMAR1 Q99720 4/20 0.38
▸ PNMT P11086 1/20 0.38
▸ MC4R P32245 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ C5AR1 P21730 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
SCHEMBL2483520 0.78 MEN1 (0.48) SIGMAR1LMNAMEN1NPC1RAB9A
SCHEMBL17074442 0.77 MEN1 (0.43) SIGMAR1LMNAMEN1NPC1RAB9A
SCHEMBL13696609 0.76 SIGMAR1 (0.52) SLC6A5SIGMAR1PNMTMC4RACHE
SCHEMBL2486254 0.75 MEN1 (0.48) SIGMAR1LMNAMEN1NPC1RAB9A
SCHEMBL17074445 0.74 MEN1 (0.43) SIGMAR1LMNAMEN1NPC1RAB9A
SCHEMBL14969763 0.74 LMNA (0.49) SLC6A5SIGMAR1PNMTMC4RACHE
SCHEMBL9952926 0.74 DRD2 (0.43) SIGMAR1MC4RGAAACHEDRD4
SCHEMBL12696582 0.73 P2RX7 (0.42) SIGMAR1MC4RGAAACHEDRD4
Hydrochloric Acid SCHEMBL20184899 0.73 DRD2 (0.43) SIGMAR1MC4RGAADRD4LMNA
SCHEMBL14211674 0.73 SIGMAR1 (0.47) SLC6A5SIGMAR1PNMTMC4RACHE

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
WO-2024258591-A2 NOVEL INHIBITORS OF HISTONE DEMETHYLASES AND COMPOSITIONS AND METHODS THEREOF XIANG YIBIN (US) 2024-12-19 — — WO disclosed
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