SCHEMBL7745816

SCHEMBL7745816

CN(C)CCn1c(CN2C(=O)c3cccc4cccc2c34)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.53
HEXB P07686 1/20 0.53
POLB P06746 2/20 0.48
NR1I2 O75469 1/20 0.48
AHR P35869 1/20 0.48
RAD52 P43351 1/20 0.48
RCE1 Q9Y256 1/20 0.48
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CASP1 P29466 1/20 0.46
MPI P34949 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.44
UBE2N P61088 2/20 0.44
ATM Q13315 1/20 0.44
CYP2D6 P10635 1/20 0.43
FTO Q9C0B1 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
SCHEMBL7745712 0.90 PKM (0.48) HEXAHEXBPOLBRAD52HPGD
SCHEMBL7745820 0.88 POLB (0.41) HEXAHEXBPOLBNR1I2AHR
SCHEMBL7745462 0.86 POLB (0.46) POLBALDH1A1LMNADRD2HTR6
SCHEMBL7745469 0.85 HPGD (0.46) POLBHPGDALDH1A1CASP1MPI
SCHEMBL7745817 0.83 HPGD (0.49) POLBHPGDALDH1A1CASP1MPI
SCHEMBL7745883 0.74 AGTR1 (0.42) POLBHPGDALDH1A1LMNAMAPT
SCHEMBL7746704 0.72 TOP2A (0.55) POLBRAD52HPGDALDH1A1L3MBTL1
SCHEMBL7740999 0.72 HTR2A (0.61) POLBHPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1357011 0.71 HEXA (1.00) HEXAHEXBPOLBNR1I2AHR
SCHEMBL7740562 0.71 TSHR (0.57) POLBALDH1A1SMN1; SMN2LMNAMAPT

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