SCHEMBL10150235

SCHEMBL10150235

CC(O)COc1cccnc1CCCN

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CYP2A6 P11509 1/20 0.37
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
CXCR4 P61073 6/20 0.35
ADRB2 P07550 4/20 0.34
ADRB1 P08588 4/20 0.34
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HRH1 P35367 1/20 0.33
NAMPT P43490 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
SCHEMBL13392157 0.87 LMNA (0.40) LMNACYP2C19ADRB2ADRB1MEN1
SCHEMBL14260228 0.80 LMNA (0.35) LMNAADRB2ADRB1NAMPT
SCHEMBL13696631 0.78 LOX (0.41) CYP2A6HRH1
SCHEMBL764884 0.78 ADRB2 (0.55) LMNAADRB2ADRB1
SCHEMBL764868 0.77 LMNA (0.39) LMNACYP2A6ADRB2ADRB1MEN1
SCHEMBL10150889 0.76 CYP2A6 (0.36) LMNACYP2A6CYP2C19ADRB2ADRB1
SCHEMBL11233284 0.76 HRH1 (0.44) LMNACYP2A6MEN1KMT2AHRH1
SCHEMBL10150236 0.74 LMNA (0.39) LMNAALOX15CYP2C19ADRB2ADRB1
SCHEMBL9866203 0.74 HRH1 (0.45) LMNACYP2A6MEN1KMT2AHSP90AA1
SCHEMBL20897976 0.72 CHRNB2 (0.48) LMNACYP2C19ADRB2ADRB1

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 2 patents. 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
WO-2008033328-A2 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS TRANZYME PHARMA, INC. (US) 2008-03-20 WO disclosed