SCHEMBL7741006

SCHEMBL7741006

CC(C)CCn1c(CN2C(=O)C(CC(=O)N(C)C)c3ccccc32)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.38
CDC25A P30304 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL7745735 0.90 TSHR (0.49) TSHRMAPK1ALDH1A1NPSR1MAPT
SCHEMBL7745801 0.84 TSHR (0.43) TSHRMAPK1ALDH1A1NPSR1MAPT
SCHEMBL7745704 0.84 LMNA (0.43) TSHRMAPK1HPGDHTTLMNA
SCHEMBL7741104 0.84 TSHR (0.55) TSHRMAPK1ALDH1A1NPSR1MAPT
SCHEMBL7746011 0.82 GAA (0.49) TSHRMAPK1ALDH1A1LMNAGAA
SCHEMBL1751915 0.73 CDC25A (0.50) TSHRALDH1A1KDM4EHPGDCYP1A2
SCHEMBL2880216 0.73 TSHR (0.48) TSHRMAPK1ALDH1A1MAPTKDM4E
SCHEMBL7745697 0.72 TSHR (0.64) TSHRMAPK1ALDH1A1NPSR1MAPT
SCHEMBL7745839 0.72 TSHR (0.52) TSHRMAPK1ALDH1A1NPSR1MAPT
SCHEMBL7740562 0.72 TSHR (0.57) TSHRMAPK1ALDH1A1NPSR1MAPT

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