SCHEMBL10716608

SCHEMBL10716608

CC(C)n1cc(CCN)c2cc(CC(N)=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ICMT O60725 9/20 0.44
▸ HTR6 P50406 1/20 0.42
▸ ADRB2 P07550 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR2A P28223 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PLA2G2A P14555 2/20 0.36
▸ HASPIN Q8TF76 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
SCHEMBL10716492 0.86 ADRB2 (0.56) POLBMAPTKDM4ELMNAMAPK1
SCHEMBL10494794 0.80 HTR6 (0.42) HTR6ADRB2HTR1DHTR2A
SCHEMBL25398994 0.80 HTR6 (0.49) HTR6ADRB2HTR1DHTR2AHASPIN
SCHEMBL25100768 0.79 HTR6 (0.47) MAPTMAPK1HTR6ADRB2HTR1D
SCHEMBL10717752 0.77 PLA2G4A (0.59) —
SCHEMBL10718886 0.77 ICMT (0.45) POLBKDM4ELMNAMAPK1ICMT
SCHEMBL10716617 0.74 MEN1 (0.42) POLBMAPTKDM4ELMNAMAPK1
SCHEMBL7749047 0.72 HTR2A (0.68) MAPTHTR6HTR2AALDH1A1
Hydrochloric Acid SCHEMBL10563984 0.72 HTR1A (0.45) MAPTKDM4ELMNAHTR6ADRB2
SCHEMBL4987596 0.72 ICMT (0.54) POLBMAPTKDM4ELMNAMAPK1

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-4650810-A OR INDOLE-5-THIOACETAMIDES GLAXO GROUP LIMITED (GB) 1987-03-17 — — US disclosed
Send feedback