SCHEMBL7745813

SCHEMBL7745813

CC(=O)CC1(O)C(=O)N(Cc2nc3ccccc3n2CCC(C)C)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL7745822 0.88 TSHR (0.44) ALDH1A1TSHRMAPK1NPSR1
SCHEMBL7740569 0.85 TSHR (0.53) TSHRMAPK1
SCHEMBL16163238 0.82 TSHR (0.53) TSHRMAPK1
SCHEMBL16163321 0.80 TSHR (0.51) TSHRMAPK1
SCHEMBL16163229 0.80 TSHR (0.51) TSHRMAPK1
SCHEMBL16163364 0.74 TSHR (0.51) TSHRMAPK1
SCHEMBL14941421 0.74 TSHR (0.51) TSHRMAPK1
SCHEMBL2879767 0.74 TSHR (0.48) TSHRMAPK1
SCHEMBL7741104 0.73 TSHR (0.55) ALDH1A1TSHRMAPK1KDM4ENPSR1
SCHEMBL7745697 0.73 TSHR (0.64) ALDH1A1TSHRMAPK1KDM4ENPSR1

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