SCHEMBL8274394

SCHEMBL8274394

Cn1nc(C2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
PARP1 P09874 1/20 0.50
ACHE P22303 4/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
DRD2 P14416 2/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
HTR2A P28223 1/20 0.44
CCR3 P51677 1/20 0.43

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
SCHEMBL8273820 0.76 ROCK2 (0.55) PARP1ACHEDRD2DRD4DRD3
SCHEMBL8572563 0.75 POLB (0.48) ACHEDRD2DRD4DRD3MEN1
SCHEMBL30015144 0.74 DRD2 (0.48) ACHEDRD2DRD4DRD3HTR2A
SCHEMBL2967028 0.74 BCHE (0.47) ACHEMAPK1DRD2DRD4DRD3
SCHEMBL1388463 0.71 DRD4 (0.60) ACHETSHRDRD2DRD4DRD3
SCHEMBL30944655 0.71 ADRA1A (0.48) ACHEMAPK1DRD4KMT2AGAA
Maleic Acid SCHEMBL8569609 0.71 HTR2A (0.46) DRD2HTR2A
SCHEMBL10164221 0.70 ACHE (0.62) ACHEDRD2HTR2A
SCHEMBL5633507 0.69 ACHE (0.54) ACHEDRD2DRD4DRD3MEN1
SCHEMBL10499830 0.69 CNR1 (0.46) LMNASMN1; SMN2HPGDACHEMAPK1

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
WO-2006003147-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-12 WO disclosed