SCHEMBL8836846

SCHEMBL8836846

CCS(=O)(=O)NCCN1CCC(CN(C(=O)O)c2ccccc2-c2nc(C)no2)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 4/20 0.35
ACKR3 P25106 1/20 0.35
OPRK1 P41145 2/20 0.35
KMT2A Q03164 1/20 0.35
GFER P55789 1/20 0.35
KCNH2 Q12809 3/20 0.34
HRH1 P35367 2/20 0.34
KDM1A O60341 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
ADRA1A P35348 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL1039396 0.93 HTR4 (0.40) HCRTR1HCRTR2ACKR3KMT2AGFER
SCHEMBL8141472 0.90 OPRK1 (0.40) OPRK1KCNH2HRH1OPRM1
SCHEMBL7398680 0.89 HCRTR1 (0.35) HCRTR1HCRTR2ACKR3OPRK1KMT2A
SCHEMBL7399420 0.89 HTT (0.37) HCRTR1HCRTR2ACKR3KMT2AKCNH2
SCHEMBL7397093 0.88 KDM1A (0.39) HCRTR1HCRTR2ACKR3OPRK1KMT2A
SCHEMBL8134001 0.88 SLC6A2 (0.38) HCRTR1HCRTR2ACKR3KMT2AKCNH2
SCHEMBL7403466 0.86 ACKR3 (0.40) HCRTR1HCRTR2ACKR3KMT2AKCNH2
SCHEMBL7402277 0.86 MAPT (0.42) KCNH2KDM1A
Fumaric Acid SCHEMBL7399492 0.86 HCRTR1 (0.33) HCRTR1HCRTR2ACKR3OPRK1KMT2A
Maleic Acid SCHEMBL7399489 0.86 HCRTR1 (0.33) HCRTR1HCRTR2ACKR3OPRK1KMT2A

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-5618827-A TREATING GASTROINTESTINAL, URINARY, CARDIOVASCULAR, CENTRAL NERVOUS SYTEM DISORDERS GLAXO GROUP LIMITED (GB) 1997-04-08 US disclosed