SCHEMBL7179968

SCHEMBL7179968

CCC1CNCCN1c1cccc2c1CC(NC(=O)c1ccc(N3CCOCC3)cc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.42
▸ DRD2 P14416 7/20 0.42
▸ DRD3 P35462 7/20 0.42
▸ HTR2A P28223 6/20 0.42
▸ MTNR1A P48039 3/20 0.42
▸ MTNR1B P49286 3/20 0.42
▸ TAOK3 Q9H2K8 1/20 0.40
▸ KCNH2 Q12809 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ AKT1 P31749 1/20 0.36

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
SCHEMBL7179971 1.00 USP30 (0.42) USP30DRD2DRD3HTR2AMTNR1A
SCHEMBL7179973 1.00 USP30 (0.42) USP30DRD2DRD3HTR2AMTNR1A
SCHEMBL7181646 0.90 USP30 (0.44) USP30DRD2DRD3HTR2AMTNR1A
SCHEMBL7181651 0.90 USP30 (0.44) USP30DRD2DRD3HTR2AMTNR1A
SCHEMBL7181656 0.90 USP30 (0.44) USP30DRD2DRD3HTR2AMTNR1A
SCHEMBL6820526 0.86 USP30 (0.49) USP30DRD2DRD3HTR2AMTNR1A
SCHEMBL6820477 0.86 USP30 (0.49) USP30DRD2DRD3HTR2AMTNR1A
SCHEMBL6819527 0.82 DRD2 (0.51) USP30DRD2DRD3HTR2AMTNR1A
SCHEMBL6820522 0.82 DRD2 (0.51) USP30DRD2DRD3HTR2AMTNR1A
SCHEMBL7024099 0.82 MTNR1A (0.43) USP30DRD2DRD3HTR2AMTNR1A

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-1014985-B1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A H5-HT 1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2003-05-21 — — EP claimed
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