SCHEMBL7740559

SCHEMBL7740559

CCOC(=O)c1cc2ccccc2n1Cc1nc2ccccc2n1CCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 3/20 0.56
NOD1 Q9Y239 3/20 0.56
TSHR P16473 2/20 0.55
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
F10 P00742 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 4/20 0.45
HTT P42858 3/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CNR2 P34972 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL3622285 0.76 NOD2 (0.51) NOD2NOD1TSHRKDM4ESMN1; SMN2
SCHEMBL3682265 0.76 NOD2 (0.61) NOD2NOD1TSHRMAPK1KDM4E
SCHEMBL12584503 0.76 NOD2 (0.64) NOD2NOD1TSHRKDM4ESMN1; SMN2
SCHEMBL7740507 0.74 MAPK1 (0.68) TSHRMAPK1KDM4ESMN1; SMN2MEN1
SCHEMBL4798323 0.74 NOD2 (0.85) NOD2NOD1TSHRMAPK1KDM4E
SCHEMBL7747083 0.74 KDM4E (0.52) TSHRMAPK1KDM4EMEN1KMT2A
SCHEMBL3259707 0.74 NOD2 (0.71) NOD2NOD1TSHRKDM4ESMN1; SMN2
SCHEMBL6752352 0.73 KDM4E (0.71) NOD2NOD1TSHRKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL5858859 0.73 TSHR (0.70) TSHRMAPK1KDM4ESMN1; SMN2MEN1
SCHEMBL28669136 0.73 NOD2 (0.70) NOD2NOD1TSHRKDM4ESMN1; SMN2

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