SCHEMBL25815809

SCHEMBL25815809

C1CN(C2CCN(CC3CNC3)CC2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCR5 P51681 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
ACHE P22303 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2C P18825 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL25856203 0.89 HTR6 (0.38) HTR6HPGDKMT2ASMN1; SMN2
SCHEMBL2547787 0.89 CHRM5 (0.39) HTR6HPGDKMT2ASMN1; SMN2CCR5
SCHEMBL24197230 0.85 CHRM5 (0.45) HTR6SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL24480218 0.82 ACHE (0.50) KMT2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL2578794 0.82 POLB (0.37) KMT2ASMN1; SMN2ACHECHRM5ADRA2C
SCHEMBL24480842 0.81 KMT2A (0.40) HTR6HPGDKMT2ASMN1; SMN2OPRM1
SCHEMBL25820816 0.81 ACHE (0.41) HTR6HPGDKMT2ASMN1; SMN2CCR5
SCHEMBL25815386 0.81 SMN1; SMN2 (0.34) HTR6HPGDKMT2ASMN1; SMN2CCR5
SCHEMBL24196541 0.76 CHRM5 (0.48) HTR6SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL24480871 0.76 GBA1 (0.39) OPRM1OPRD1OPRK1OPRL1ACHE

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-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed