SCHEMBL7385642

SCHEMBL7385642

COC(=O)CCc1ccc(-n2c(C)c(C)[nH]c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
TSHR P16473 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
KDM4E B2RXH2 2/20 0.37
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL7391656 0.79 TDP1 (0.51) PDE3BPDE3ATSHRRXRARXRB
SCHEMBL7282967 0.79 CYP11B1 (0.44) HRH3TDP1KDM4EALDH1A1
SCHEMBL7282199 0.79 CYP11B1 (0.44) HRH3TDP1KDM4EALDH1A1
SCHEMBL7393454 0.79 EGFR (0.45) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL7283833 0.77 ITGB3 (0.41) HRH3
Hydrochloric Acid SCHEMBL7281759 0.77 ITGB3 (0.41) HRH3
SCHEMBL22922181 0.74 CYP4F2 (0.59) TSHRHRH3CYP4F2CYP4A11TDP1
SCHEMBL22996702 0.74 HRH3 (0.38) HRH3ADRB2ADRB1ALDH1A1SMN1; SMN2
SCHEMBL7390225 0.72 RPS6KA3 (0.43) HRH3CYP4F2CYP4A11ADRB2ADRB1
SCHEMBL2569441 0.71 L3MBTL1 (0.55) CYP4F2CYP4A11TDP1ADRB2ADRB1

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
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed