SCHEMBL7741297

SCHEMBL7741297

CON=C1C(=O)N(Cc2nc3ccccc3n2CCC(C)C)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTK2B Q14289 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 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
SCHEMBL7745214 0.90 TSHR (0.47) TSHRMAPK1NPSR1MAPTPOLB
SCHEMBL7745839 0.88 TSHR (0.52) TSHRMAPK1NPSR1MAPTALDH1A1
SCHEMBL7745732 0.88 TSHR (0.46) TSHRMAPK1NPSR1MAPTALDH1A1
SCHEMBL7740725 0.87 TSHR (0.45) TSHRMAPK1NPSR1MAPTALDH1A1
SCHEMBL7741370 0.85 TSHR (0.43) TSHRMAPK1NPSR1MAPTALDH1A1
SCHEMBL7740562 0.85 TSHR (0.57) TSHRMAPK1NPSR1MAPTALDH1A1
SCHEMBL7740752 0.84 DRD2 (0.44) TSHRMAPK1MAPTALDH1A1POLB
SCHEMBL7745810 0.83 AGTR1 (0.42) TSHRMAPK1NPSR1MAPTALDH1A1
SCHEMBL7745254 0.83 TSHR (0.41) TSHRMAPK1NPSR1MAPTALDH1A1
SCHEMBL7745697 0.81 TSHR (0.64) TSHRMAPK1NPSR1MAPTALDH1A1

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