SCHEMBL30947762

SCHEMBL30947762

CCC1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C(C)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GFER P55789 1/20 0.35
CTPS1 P17812 1/20 0.34
HTR1A P08908 3/20 0.34
PARP2 Q9UGN5 2/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
DRD4 P21917 1/20 0.34
CSF1R P07333 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PARP1 P09874 1/20 0.32
POLB P06746 1/20 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
SCHEMBL30947755 0.84 NPC1 (0.43) OPRM1ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL30947763 0.84 ALDH1A1 (0.44) OPRM1OPRD1OPRK1ALDH1A1HTT
SCHEMBL30947765 0.80 ALDH1A1 (0.39) OPRM1OPRD1OPRK1ALDH1A1HTT
SCHEMBL28528143 0.77 MAPT (0.43) OPRM1OPRD1OPRK1ALDH1A1HTT
SCHEMBL30947752 0.77 MAPT (0.43) OPRM1OPRD1OPRK1ALDH1A1HTT
SCHEMBL28528146 0.77 MAPT (0.43) OPRM1OPRD1OPRK1ALDH1A1HTT
SCHEMBL28528144 0.77 MAPT (0.43) OPRM1OPRD1OPRK1ALDH1A1HTT
SCHEMBL6571203 0.72 MAPT (0.54) OPRM1OPRD1OPRK1ALDH1A1HTT
SCHEMBL30947732 0.70 GFER (0.39) OPRM1OPRD1OPRK1ALDH1A1SMN1; SMN2
SCHEMBL28907761 0.70 GFER (0.39) OPRM1OPRD1OPRK1ALDH1A1SMN1; SMN2

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
CN-112469707-B Preventive or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2024-06-21 CN disclosed