SCHEMBL7745810

SCHEMBL7745810

CC(C)CCn1c(CN2C(=O)C(=NOCc3ccc(C(=O)O)cc3)c3ccccc32)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.42
AGTR2 P50052 3/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARG P37231 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CNR2 P34972 4/20 0.39
CNR1 P21554 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL7745732 0.93 TSHR (0.46) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7740752 0.92 DRD2 (0.44) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7741370 0.90 TSHR (0.43) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7745883 0.89 AGTR1 (0.42) AGTR1AGTR2PPARGALDH1A1LMNA
SCHEMBL7745254 0.88 TSHR (0.41) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7740725 0.87 TSHR (0.45) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7745243 0.85 TSHR (0.40) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7745239 0.85 TSHR (0.41) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7741297 0.83 TSHR (0.50) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7745214 0.83 TSHR (0.47) TSHRMAPK1LMNAPOLBMAPT

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 1 patent. 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