SCHEMBL21613743

SCHEMBL21613743

CC1CCN(C2CCN(Sc3cccnc3Cl)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ FAAH O00519 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ EBP Q15125 2/20 0.33
▸ DHCR7 Q9UBM7 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ PTPN11 Q06124 1/20 0.32
▸ HRH3 Q9Y5N1 3/20 0.32

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
SCHEMBL21613808 0.86 DHCR7 (0.39) KDM4EKMT2AMEN1EBPDHCR7
SCHEMBL21613703 0.76 KDM4E (0.41) ALDH1A1KDM4EKMT2AMEN1EBP
SCHEMBL22080872 0.75 KDM4E (0.37) ALDH1A1KDM4EKMT2AEBPDHCR7
SCHEMBL22081626 0.74 KDM4E (0.38) ALDH1A1KDM4EKMT2AMEN1EBP
SCHEMBL21613709 0.74 CHRNA7 (0.40) ALDH1A1KDM4E
SCHEMBL22081202 0.74 HTT (0.39) ALDH1A1KDM4EKMT2AMEN1EBP
SCHEMBL21613735 0.74 ACHE (0.45) ALDH1A1KDM4EKMT2AMEN1EBP
SCHEMBL21613752 0.74 KDM4E (0.41) ALDH1A1KDM4EKMT2AMEN1EBP
SCHEMBL17007475 0.72 DHCR7 (0.50) ALDH1A1KMT2AMEN1EBPDHCR7
SCHEMBL21613791 0.72 LMNA (0.41) ALDH1A1KDM4EKMT2AMEN1EBP

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