SCHEMBL30643008

SCHEMBL30643008

Nc1cccc(CN2CCN(c3ccccc3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.70
DRD2 P14416 3/20 0.64
DRD3 P35462 1/20 0.64
HTR1A P08908 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL29132943 1.00 DRD4 (0.70) DRD4DRD2DRD3HTR1ASIGMAR1
SCHEMBL2660374 0.92 DRD4 (0.72) DRD4DRD2DRD3HTR1ASIGMAR1
SCHEMBL20272187 0.87 MAPT (0.63) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20272185 0.87 MAPT (0.58) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL16760957 0.87 SIGMAR1 (0.56) SIGMAR1ALDH1A1
SCHEMBL10861239 0.85 HTR1A (0.72) DRD2HTR1ASIGMAR1ALDH1A1MAPT
SCHEMBL20272705 0.83 HTR1A (0.62) DRD4HTR1ASIGMAR1KDM4EALDH1A1
SCHEMBL6031812 0.83 DRD4 (1.00) DRD4DRD2DRD3HTR1ASIGMAR1
SCHEMBL7498974 0.83 DRD4 (0.72) DRD4DRD2DRD3HTR1A
SCHEMBL654308 0.82 DRD4 (0.77) DRD4DRD2DRD3SIGMAR1KDM4E

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-117285485-A Bis-sulfonamide derivative and preparation method and application thereof 复旦大学 2023-12-26 CN disclosed