SCHEMBL7745571

SCHEMBL7745571

COC(=O)c1ccc(-c2nn(Cc3nc4ccccc4n3CCC(C)C)c3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.50
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
DRD2 P14416 6/20 0.47
TBXA2R P21731 6/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CNR2 P34972 1/20 0.46
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
PTGER4 P35408 2/20 0.43
RORC P51449 1/20 0.43
OPRK1 P41145 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7745027 0.85 TSHR (0.58) F2RL3TSHRMAPK1ALDH1A1HPGD
SCHEMBL7745456 0.75 TSHR (0.61) TSHRMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7745460 0.75 TSHR (0.61) TSHRMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4483857 0.74 F2RL3 (0.67) F2RL3DRD2TBXA2RALDH1A1HPGD
SCHEMBL4478044 0.73 F2RL3 (0.57) F2RL3TSHRMAPK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL5858859 0.72 TSHR (0.70) TSHRMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7740752 0.71 DRD2 (0.44) TSHRMAPK1DRD2TBXA2RALDH1A1
SCHEMBL6218696 0.71 CNR2 (0.48) TSHRMAPK1DRD2TBXA2RALDH1A1
SCHEMBL6216920 0.70 CNR2 (0.68) CNR2KDM4E
SCHEMBL7745216 0.70 TSHR (0.50) TSHRMAPK1ALDH1A1HPGDSMN1; 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