SCHEMBL21613752

SCHEMBL21613752

CC1CCN(C2CCN(Sc3ccccc3-c3ccccc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ATM Q13315 2/20 0.38
▸ EBP Q15125 1/20 0.37
▸ DHCR7 Q9UBM7 1/20 0.37
▸ SLC18A3 Q16572 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ GRIN2B Q13224 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 2/20 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
SCHEMBL22080875 0.91 EBP (0.48) KDM4ELMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL22080872 0.90 KDM4E (0.37) KDM4ELMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL22081614 0.88 NPSR1 (0.41) KDM4EALDH1A1SMN1; SMN2CYP2D6CYP2C19
SCHEMBL22081166 0.87 MEN1 (0.49) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21613773 0.81 EBP (0.44) KDM4EALDH1A1MEN1KMT2ACYP2D6
SCHEMBL21613703 0.81 KDM4E (0.41) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL22081217 0.81 KDM4E (0.46) KDM4ELMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL21613744 0.80 KDM4E (0.45) KDM4EALDH1A1MEN1KMT2ACYP2D6
SCHEMBL21613775 0.79 HTR7 (0.45) KDM4ELMNAALDH1A1SMN1; SMN2CHRM2
SCHEMBL21613735 0.78 ACHE (0.45) KDM4ELMNAALDH1A1SMN1; SMN2MEN1

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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