SCHEMBL21613808

SCHEMBL21613808

Cc1ncccc1SN1CCC(N2CCC(C)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DHCR7 Q9UBM7 3/20 0.39
▸ EBP Q15125 2/20 0.39
▸ CHRM4 P08173 3/20 0.38
▸ CCR5 P51681 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2D6 P10635 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ CHRM2 P08172 1/20 0.33

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
SCHEMBL21613743 0.86 ALDH1A1 (0.41) DHCR7EBPKDM4EKMT2AMEN1
SCHEMBL21613703 0.77 KDM4E (0.41) DHCR7EBPKDM4EKMT2AMEN1
SCHEMBL21613709 0.75 CHRNA7 (0.40) CHRM4KDM4E
SCHEMBL21613735 0.75 ACHE (0.45) DHCR7EBPKDM4EKMT2AMEN1
SCHEMBL21613752 0.75 KDM4E (0.41) DHCR7EBPKDM4EKMT2AMEN1
SCHEMBL22080875 0.74 EBP (0.48) DHCR7EBPKDM4EKMT2AMEN1
SCHEMBL21613700 0.74 HRH3 (0.43) KMT2AMEN1CYP2D6HTTTSHR
SCHEMBL26004529 0.74 KDM4E (0.39) DHCR7EBPKDM4EKMT2AMEN1
SCHEMBL21613744 0.73 KDM4E (0.45) DHCR7EBPKDM4EKMT2AMEN1
SCHEMBL21613806 0.72 DHCR7 (0.50) DHCR7EBPKDM4EKMT2AMEN1

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 2 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
EP-3044218-B1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS UNIV TEXAS (US) 2020-05-27 — — EP disclosed
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