SCHEMBL10716617

SCHEMBL10716617

NCCc1cn(C2CCCCC2)c2ccc(CC(N)=O)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ OPRM1 P35372 3/20 0.39
▸ OPRK1 P41145 3/20 0.39
▸ OPRL1 P41146 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ICMT O60725 5/20 0.38
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CYSLTR2 Q9NS75 1/20 0.35
▸ CYSLTR1 Q9Y271 1/20 0.35
▸ PLA2G2A P14555 2/20 0.34
▸ NUDT1 P36639 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GAA P10253 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
SCHEMBL10719207 0.83 KMT2A (0.45) MEN1KMT2AOPRM1KDM4EPOLB
SCHEMBL10494786 0.82 OPRM1 (0.39) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL10716492 0.77 ADRB2 (0.56) MEN1KMT2AKDM4EPOLBLMNA
SCHEMBL10716608 0.74 POLB (0.46) KDM4EPOLBLMNAMAPK1ICMT
SCHEMBL7753647 0.73 OPRM1 (0.62) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL10717752 0.73 PLA2G4A (0.59) —
SCHEMBL10718886 0.73 ICMT (0.45) KDM4EPOLBLMNAMAPK1ICMT
SCHEMBL21179535 0.70 ADRB2 (0.40) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL20769671 0.69 KCNH2 (0.45) MEN1KMT2AKDM4ELMNASCN5A
SCHEMBL20769715 0.68 AKR1C3 (0.46) MEN1KMT2AKDM4ELMNACYSLTR2

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