SCHEMBL25815386

SCHEMBL25815386

CN1CC(CN2CCC(N3CCNCC3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 1/20 0.33
HTR6 P50406 1/20 0.33
GNAO1 P09471 4/20 0.33
POLB P06746 1/20 0.32
GNAI3 P08754 3/20 0.31
GNAI1 P63096 3/20 0.31
CCR5 P51681 1/20 0.31
OPRM1 P35372 3/20 0.31
OPRD1 P41143 3/20 0.31
OPRK1 P41145 3/20 0.31
OPRL1 P41146 3/20 0.31
GBA1 P04062 1/20 0.30

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
SCHEMBL24480854 0.92 HTR6 (0.33) SMN1; SMN2HPGDKMT2AHTR6GNAO1
SCHEMBL24319470 0.87 KDM4E (0.34) ACHEGNAO1GNAI3GNAI1OPRM1
SCHEMBL24480419 0.86 TACR1 (0.32) HTR6GBA1
SCHEMBL24480857 0.84 ACHE (0.40) SMN1; SMN2ACHEGNAO1POLBGNAI3
SCHEMBL2547787 0.84 CHRM5 (0.39) SMN1; SMN2HPGDKMT2AACHEHTR6
SCHEMBL19782068 0.84 POLB (0.38) SMN1; SMN2ACHEGNAO1POLBGBA1
SCHEMBL24480879 0.83 KDM1A (0.37) SMN1; SMN2ACHEPOLBGBA1
SCHEMBL24319406 0.81 ALDH1A1 (0.37) ACHEPOLBOPRM1OPRD1OPRK1
SCHEMBL25815809 0.81 HTR6 (0.40) SMN1; SMN2HPGDKMT2AACHEHTR6
SCHEMBL25027122 0.80 NCF1 (0.37) SMN1; SMN2HPGDKMT2AACHEGNAO1

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