SCHEMBL8035979

SCHEMBL8035979

COc1ccc2c(c1)c1c(n2C(C)=O)C(C)N(C(C)=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
HTR6 P50406 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C1 Q04828 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
MTNR1B P49286 2/20 0.39
TSHR P16473 1/20 0.39
MTNR1A P48039 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL8039625 0.89 AKR1B10 (0.46) HSD17B10HTR6SMN1; SMN2KDM4EGAA
SCHEMBL8036147 0.88 DRD2 (0.47) HSD17B10SMN1; SMN2KDM4EBAZ2BDRD2
SCHEMBL2707877 0.74 MAPKAPK2 (0.62) SMN1; SMN2BAZ2BKDRMAPKAPK2
SCHEMBL11355122 0.74 KDM4E (0.51) HSD17B10KDM4EGAADRD2DRD1
SCHEMBL8025914 0.72 HSD17B10 (0.57) HSD17B10HTR6KDM4EPTGS1PTGS2
SCHEMBL15241465 0.72 MAPT (0.55) SMN1; SMN2KDM4EGAATSHRMAPKAPK2
SCHEMBL28476651 0.69 MAOA (0.39) HSD17B10HTR6KDM4EMAOAMAOB
SCHEMBL8035821 0.67 KMT2A (0.48) HSD17B10HTR6KDM4EGAAPTGS1
SCHEMBL3558589 0.66 MAPT (0.51) HSD17B10KDM4EGAAAKR1C3AKR1C2
SCHEMBL18052964 0.65 MAPT (0.50) HSD17B10KDM4EGAAAKR1C3AKR1C2

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-6048868-A CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS; ANTIDEPRESSANTS CEMAF (FR) 2000-04-11 US disclosed