SCHEMBL7740562

SCHEMBL7740562

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.47
CES1 P23141 3/20 0.45
BCHE P06276 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ALDH2 P05091 2/20 0.44
ALDH3A1 P30838 2/20 0.44
CHRM1 P11229 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
TGM2 P21980 2/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL7745697 0.87 TSHR (0.64) TSHRMAPK1NPSR1ALDH1A1TP53
SCHEMBL7745839 0.86 TSHR (0.52) TSHRMAPK1NPSR1ALDH1A1TP53
SCHEMBL7745373 0.85 MAPK1 (0.50) TSHRMAPK1NPSR1ALDH1A1TP53
SCHEMBL7741297 0.85 TSHR (0.50) TSHRMAPK1NPSR1ALDH1A1TP53
SCHEMBL7745462 0.84 POLB (0.46) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL7740965 0.83 TSHR (0.49) TSHRCES1BCHEALDH1A1ALDH2
SCHEMBL7745214 0.82 TSHR (0.47) TSHRMAPK1NPSR1TP53POLB
SCHEMBL6480793 0.82 CES1 (0.45) TSHRCES1BCHEALDH1A1ALDH2
SCHEMBL7745174 0.82 MAPK1 (0.47) TSHRMAPK1NPSR1ALDH1A1TP53
SCHEMBL7745732 0.81 TSHR (0.46) TSHRMAPK1NPSR1BCHEALDH1A1

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