SCHEMBL21613735

SCHEMBL21613735

CC1CCN(C2CCN(Sc3cccc4ccccc34)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ SIGMAR1 Q99720 3/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CASP1 P29466 1/20 0.35

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
SCHEMBL21613880 0.87 CYP2D6 (0.44) KDM4EHRH3KMT2AMEN1ALDH1A1
SCHEMBL21613700 0.85 HRH3 (0.43) HRH3KMT2ALMNAMEN1TSHR
SCHEMBL26004529 0.83 KDM4E (0.39) ACHEKDM4EKMT2ALMNAMEN1
SCHEMBL22081626 0.82 KDM4E (0.38) ACHEKDM4EKMT2AMEN1PKM
SCHEMBL21613703 0.81 KDM4E (0.41) ACHEKDM4EKMT2ALMNAMEN1
SCHEMBL21613752 0.78 KDM4E (0.41) ACHEKDM4EHRH3KMT2ALMNA
SCHEMBL21613744 0.77 KDM4E (0.45) ACHEKDM4EKMT2AMEN1ALDH1A1
SCHEMBL22080875 0.75 EBP (0.48) KDM4EHRH3KMT2ALMNAMEN1
SCHEMBL21613808 0.75 DHCR7 (0.39) KDM4EHRH3KMT2AMEN1TSHR
SCHEMBL22080872 0.74 KDM4E (0.37) KDM4EHRH3KMT2ALMNAALDH1A1

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
EP-3322417-B1 TARGETING EMOPAMIL BINDING PROTEIN (EBP) WITH SMALL MOLECULES THAT INDUCE AN ABNORMAL FEEDBACK RESPONSE BY LOWERING ENDOGENOUS CHOLESTEROL BIOSYNTHESIS UNIV TEXAS (US) 2023-08-23 — — EP disclosed
WO-2020117972-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-06-11 — — WO disclosed
EP-3044218-B1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS UNIV TEXAS (US) 2020-05-27 — — EP disclosed
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