SCHEMBL13675293

SCHEMBL13675293

OCC(CO)CNCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.54
ERAP2 Q6P179 1/20 0.54
ADRB2 P07550 3/20 0.53
SIGMAR1 Q99720 7/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
KCNH2 Q12809 1/20 0.50
MPO P05164 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45

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
Hydrochloric Acid SCHEMBL6897550 0.80 GAA (0.52) ANPEPERAP2ADRB2SIGMAR1GAA
Hydrochloric Acid SCHEMBL6897545 0.80 GAA (0.52) ANPEPERAP2ADRB2SIGMAR1GAA
SCHEMBL10676903 0.79 ADRB2 (0.51) ANPEPERAP2ADRB2SIGMAR1GAA
SCHEMBL5226075 0.77 SIGMAR1 (0.61) SIGMAR1GAAMAPTKCNH2MPO
SCHEMBL31122408 0.77 ADRB2 (0.53) ANPEPERAP2ADRB2SIGMAR1GAA
SCHEMBL283735 0.76 SIGMAR1 (0.81) SIGMAR1GAAMAPTKCNH2NPC1
SCHEMBL25343744 0.76 MEN1 (0.52) ANPEPGAAMAPT
SCHEMBL13416723 0.76 ALDH1A1 (0.56) ANPEPERAP2ADRB2SIGMAR1GAA
SCHEMBL9662196 0.76 KCNH2 (0.69) ANPEPERAP2ADRB2SIGMAR1GAA
SCHEMBL10720145 0.76 ADRB2 (0.77) ADRB2GAAKCNH2SMN1; SMN2

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-7598253-B2 Reverse-turn mimetics and methods relating thereto MYRIAD GENETICS, INC. (US) 2009-10-06 US disclosed