SCHEMBL7976208

SCHEMBL7976208

CC(C)(C)OC(=O)N[C@@H](Cc1ccc2c(c1)oc1ccccc12)c1nnnn1CCC#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 7/20 0.48
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
HTT P42858 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
LMNA P02545 3/20 0.40
PKM P14618 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
AGTR1 P30556 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
XBP1 P17861 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P4HB P07237 2/20 0.39
POLB P06746 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
SCHEMBL7976216 1.00 GHSR (0.48) GHSRALDH1A1HPGDHTTNPSR1
SCHEMBL7976213 0.84 GHSR (0.40) GHSRALDH1A1HPGDHTTNPSR1
SCHEMBL8921747 0.83 GHSR (0.58) GHSRALDH1A1HPGDHTTNPSR1
SCHEMBL8920614 0.83 GHSR (0.58) GHSRALDH1A1HPGDHTTNPSR1
SCHEMBL3696059 0.79 GHSR (0.49) GHSRALDH1A1CTSBCTSSCTSK
SCHEMBL3696061 0.79 GHSR (0.49) GHSRALDH1A1CTSBCTSSCTSK
SCHEMBL7962303 0.78 GHSR (0.38) GHSRALDH1A1HPGDTSHRMAPT
SCHEMBL7962305 0.78 GHSR (0.38) GHSRALDH1A1HPGDTSHRMAPT
SCHEMBL14102903 0.75 GHSR (0.60) GHSRMAPTCTSSNAALAD2
SCHEMBL7515055 0.75 CTSS (0.56) GHSRALDH1A1HPGDHTTNPSR1

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
WO-2001077095-A2 DERIVATIVES OF ALPHA-MERCAPTOACETAMIDE NOVARTIS AG (CH) 2001-10-18 WO disclosed