SCHEMBL7740752

SCHEMBL7740752

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
TBXA2R P21731 7/20 0.44
CNR2 P34972 2/20 0.43
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7745810 0.92 AGTR1 (0.42) CNR2TSHRMAPK1ALDH1A1LMNA
SCHEMBL7745732 0.90 TSHR (0.46) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7745904 0.89 DRD2 (0.44) DRD2TBXA2RALDH1A1LMNAPOLB
SCHEMBL7741406 0.89 DRD2 (0.44) DRD2TBXA2RTSHRALDH1A1LMNA
SCHEMBL7741370 0.88 TSHR (0.43) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7745974 0.87 DRD2 (0.42) DRD2TBXA2RALDH1A1LMNAPOLB
SCHEMBL7745254 0.87 TSHR (0.41) CNR2TSHRMAPK1ALDH1A1LMNA
SCHEMBL7740725 0.84 TSHR (0.45) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL7745243 0.84 TSHR (0.40) CNR2TSHRMAPK1ALDH1A1LMNA
SCHEMBL7741297 0.84 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