SCHEMBL7745134

SCHEMBL7745134

CN(C)CCn1c(Cn2ccc3cccnc32)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
MTNR1A P48039 1/20 0.40
TOP2A P11388 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
HTR6 P50406 1/20 0.39
USP2 O75604 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1D P28221 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL7740999 0.86 HTR2A (0.61) HTR2AHTR2CPOLBLMNAPKM
SCHEMBL7745595 0.79 LMNA (0.65) POLBLMNAPKMALDH1A1MEN1
SCHEMBL3892738 0.78 HTR2A (0.57) HTR2AHTR2CMTNR1AHTR7DRD3
SCHEMBL7746704 0.74 TOP2A (0.55) POLBLMNAPKMTOP2AALDH1A1
SCHEMBL7745745 0.74 PKM (0.57) HTR2AHTR2CPOLBLMNAPKM
SCHEMBL7747969 0.74 TOP2A (0.46) POLBLMNAPKMTOP2AALDH1A1
SCHEMBL7744925 0.73 POLB (0.47) POLBLMNAPKMTOP2AALDH1A1
SCHEMBL5858823 0.72 POLB (0.48) POLBLMNATOP2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL5859906 0.71 POLB (0.47) POLBLMNAPKMALDH1A1HPGD
SCHEMBL7745480 0.70 TOP2A (0.47) POLBLMNAPKMTOP2AALDH1A1

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