SCHEMBL765338

SCHEMBL765338

CC(O)COc1cccc(F)c1CC(C)CN

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
SCN4A P35499 2/20 0.39
NR2E1 Q9Y466 2/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CACNA1G O43497 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL13392162 0.87 LMNA (0.40) LMNANR2E1ALOX15CYP2C19KMT2A
SCHEMBL10150236 0.83 LMNA (0.39) LMNANR2E1ALOX15CYP2C19KMT2A
SCHEMBL10150183 0.80 ALDH1A1 (0.36) LMNANR2E1ALOX15KMT2AKDM4E
SCHEMBL765684 0.79 SCN4A (0.44) LMNASCN4ANR2E1ALOX15KMT2A
SCHEMBL750165 0.78 ALOX15 (0.48) LMNANR2E1ALOX15KDM4EALDH1A1
SCHEMBL13392155 0.77 LMNA (0.39) LMNAKMT2AKDM4EALDH1A1MEN1
SCHEMBL13894250 0.76 LMNA (0.55) LMNAKMT2AKDM4EALDH1A1
SCHEMBL768503 0.72 ALOX15 (0.59) LMNANR2E1ALOX15KMT2AKDM4E
SCHEMBL768502 0.72 ALOX15 (0.59) LMNANR2E1ALOX15KMT2AKDM4E
SCHEMBL14260258 0.71 KDM4E (0.38) LMNAKMT2AKDM4EALDH1A1

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
EP-2431380-A2 Macrocyclic antagonist of the motilin receptor for treatment of gastrointestinal dysmotility disorders Tranzyme Pharma, Inc. (US) 2012-03-21 EP disclosed