SCHEMBL30301379

SCHEMBL30301379

O=C(NC1CCC(Cc2ccccc2)CC1)c1cc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.64
▸ SLC6A4 P31645 1/20 0.64
▸ DRD2 P14416 5/20 0.54
▸ DRD3 P35462 5/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CCKBR P32239 1/20 0.52
▸ CYP2D6 P10635 2/20 0.51
▸ HTR1D P28221 2/20 0.51
▸ HTR1B P28222 2/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ GRIN2D O15399 2/20 0.50
▸ GRIN3B O60391 2/20 0.50
▸ GRIN1 Q05586 2/20 0.50
▸ GRIN2A Q12879 2/20 0.50
▸ GRIN2B Q13224 2/20 0.50
▸ GRIN2C Q14957 2/20 0.50

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
SCHEMBL24076389 1.00 SLC6A2 (0.64) SLC6A2SLC6A4DRD2DRD3KDM4E
SCHEMBL4018254 0.87 KDM4E (0.62) DRD2DRD3KDM4EALDH1A1GAA
SCHEMBL24614077 0.84 AKR1C3 (0.62) DRD2DRD3KDM4EALDH1A1GAA
SCHEMBL24614079 0.83 DRD2 (0.54) DRD2DRD3KDM4EALDH1A1GAA
SCHEMBL76132 0.82 MLLT1 (0.69) KDM4EALDH1A1GAAMAPK1SMYD3
SCHEMBL75198 0.82 MLLT1 (0.65) DRD2DRD3KDM4EALDH1A1GAA
SCHEMBL19837662 0.81 NPC1 (0.56) DRD2DRD3KDM4EALDH1A1GAA
SCHEMBL21490113 0.81 SMYD3 (0.71) KDM4EALDH1A1GAAMAPK1SMYD3
SCHEMBL19710676 0.81 SMYD3 (0.71) KDM4EALDH1A1GAAMAPK1SMYD3
SCHEMBL19850663 0.81 NPC1 (0.56) DRD2DRD3KDM4EALDH1A1GAA

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-4159725-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2023-04-05 — — EP disclosed
Send feedback