SCHEMBL28526588

SCHEMBL28526588

CCC1CCN(c2ccc(N)c(C(N)=O)c2)C(C)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.39
IP6K1 Q92551 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
LGMN Q99538 2/20 0.34
IKBKB O14920 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.32
CDK1 P06493 1/20 0.32
HTR4 Q13639 1/20 0.31
HTR1A P08908 3/20 0.31
PARP2 Q9UGN5 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
SCHEMBL28527790 1.00 GFER (0.39) GFERIP6K1OPRM1OPRD1OPRK1
SCHEMBL30947732 1.00 GFER (0.39) GFERIP6K1OPRM1OPRD1OPRK1
SCHEMBL28526587 1.00 GFER (0.39) GFERIP6K1OPRM1OPRD1OPRK1
SCHEMBL28907761 1.00 GFER (0.39) GFERIP6K1OPRM1OPRD1OPRK1
SCHEMBL28528146 0.83 MAPT (0.43) OPRM1OPRD1OPRK1ALDH1A1SMN1; SMN2
SCHEMBL30947752 0.83 MAPT (0.43) OPRM1OPRD1OPRK1ALDH1A1SMN1; SMN2
SCHEMBL28528144 0.83 MAPT (0.43) OPRM1OPRD1OPRK1ALDH1A1SMN1; SMN2
SCHEMBL28528143 0.83 MAPT (0.43) OPRM1OPRD1OPRK1ALDH1A1SMN1; SMN2
SCHEMBL30947740 0.82 ALDH1A1 (0.38) GFERIP6K1OPRM1OPRD1OPRK1
SCHEMBL28527710 0.82 ALDH1A1 (0.38) GFERIP6K1OPRM1OPRD1OPRK1

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
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
CN-112469707-A Prophylactic or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2021-03-09 CN disclosed