SCHEMBL7745407

SCHEMBL7745407

O=C1c2cccc3cccc(c23)N1Cc1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.53
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
CASP1 P29466 1/20 0.51
MPI P34949 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
UBE2N P61088 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 3/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
POLB P06746 1/20 0.44
NPY5R Q15761 1/20 0.44

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
SCHEMBL9720966 0.74 NPSR1 (0.79) ALDH1A1HPGDCASP1MPICACNA1B
SCHEMBL5864478 0.73 ALDH1A1 (0.64) PDE10AALDH1A1DRD4POLB
SCHEMBL12202119 0.71 ALDH1A1 (0.68) PDE10AALDH1A1TDP1DRD4DRD2
SCHEMBL27864664 0.70 PDE10A (0.53) PDE10AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL19749938 0.69 NPY5R (0.51) PDE10AHPGDHTTDRD4DRD2
SCHEMBL11373746 0.69 UBE2N (0.76) ALDH1A1HPGDCASP1MPICACNA1B
SCHEMBL9290311 0.69 UBE2N (0.68) ALDH1A1HPGDCASP1MPICACNA1B
SCHEMBL6270684 0.69 ALDH1A1 (1.00) ALDH1A1HPGDCASP1MPICACNA1B
SCHEMBL9720971 0.69 HPGD (0.70) ALDH1A1HPGDCASP1MPICACNA1B
SCHEMBL29437299 0.69 ALDH1A1 (1.00) ALDH1A1HPGDCASP1MPICACNA1B

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
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed