SCHEMBL10150236

SCHEMBL10150236

CC(O)COc1cccc(F)c1CCCN

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NR2E1 Q9Y466 1/20 0.35
CYP2C19 P33261 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP1A2 P05177 1/20 0.35
TTR P02766 1/20 0.35
ADRB2 P07550 5/20 0.34
ADRB1 P08588 5/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRB3 P13945 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
SCHEMBL13392155 0.89 LMNA (0.39) LMNAKDM4EKMT2AALDH1A1CYP1A2
SCHEMBL765338 0.83 LMNA (0.39) LMNAALOX15KDM4EKMT2AALDH1A1
SCHEMBL14260258 0.82 KDM4E (0.38) LMNAKDM4EKMT2AALDH1A1ADRB2
SCHEMBL14260264 0.79 LMNA (0.38) LMNACYP2C19CYP1A2
SCHEMBL13392162 0.78 LMNA (0.40) LMNAALOX15KDM4EKMT2AALDH1A1
SCHEMBL764884 0.78 ADRB2 (0.55) LMNATAAR1ADRB2ADRB1
SCHEMBL764855 0.77 LMNA (0.39) LMNATAAR1CYP1A2ADRB2ADRB1
SCHEMBL13894250 0.76 LMNA (0.55) LMNAKDM4EKMT2AALDH1A1CYP1A2
SCHEMBL10150235 0.74 LMNA (0.39) LMNAALOX15KMT2ACYP2C19ADRB2
SCHEMBL10150183 0.72 ALDH1A1 (0.36) LMNAALOX15KDM4EKMT2AALDH1A1

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