SCHEMBL7745822

SCHEMBL7745822

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.38
POLB P06746 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
SCHEMBL7745813 0.88 ALDH1A1 (0.54) TSHRMAPK1ALDH1A1NPSR1
SCHEMBL7740569 0.81 TSHR (0.53) TSHRMAPK1TP53POLB
SCHEMBL16163238 0.78 TSHR (0.53) TSHRMAPK1
SCHEMBL16163229 0.76 TSHR (0.51) TSHRMAPK1
SCHEMBL16163321 0.76 TSHR (0.51) TSHRMAPK1
SCHEMBL22521641 0.74 CNR2 (0.43)
SCHEMBL14941421 0.70 TSHR (0.51) TSHRMAPK1TP53POLB
SCHEMBL16163364 0.70 TSHR (0.51) TSHRMAPK1TP53POLB
SCHEMBL2879767 0.70 TSHR (0.48) TSHRMAPK1TP53POLB
SCHEMBL7741104 0.70 TSHR (0.55) TSHRMAPK1ALDH1A1NPSR1TP53

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