SCHEMBL7745243

SCHEMBL7745243

CCOP(=O)(O)c1ccc(CO/N=C2/C(=O)N(Cc3nc4ccccc4n3CCC(C)C)c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CNR2 P34972 8/20 0.34
BCHE P06276 2/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 2/20 0.34
ACHE P22303 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL7745239 0.93 TSHR (0.41) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7745254 0.92 TSHR (0.41) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7745909 0.90 ALDH1A1 (0.35) ALDH1A1LMNAPOLBMAPTCNR2
SCHEMBL7745732 0.87 TSHR (0.46) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7741370 0.86 TSHR (0.43) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7745810 0.85 AGTR1 (0.42) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7740752 0.84 DRD2 (0.44) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7745471 0.83 ALDH1A1 (0.34) TSHRALDH1A1LMNAPOLBMAPT
SCHEMBL7740725 0.80 TSHR (0.45) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7741297 0.80 TSHR (0.50) TSHRMAPK1ALDH1A1LMNAPOLB

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