SCHEMBL14260232

SCHEMBL14260232

CPNCCCc1cccc(F)c1OCC(C)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
ADRB2 P07550 9/20 0.33
ADRB1 P08588 6/20 0.33
MPO P05164 2/20 0.33
SCN8A Q9UQD0 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP3A4 P08684 2/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL764162 0.82 LMNA (0.33) LMNA
SCHEMBL764855 0.82 LMNA (0.39) LMNAADRB2ADRB1MPOSCN8A
SCHEMBL13392154 0.82 LMNA (0.39) LMNAADRB2ADRB1CYP3A4KMT2A
SCHEMBL14046946 0.81 MPO (0.33) MPOSCN8ASLC6A4TAAR1
SCHEMBL14260258 0.81 KDM4E (0.38) LMNAADRB2ADRB1KMT2AKDM4E
SCHEMBL14260234 0.81 LMNA (0.34) LMNAADRB2ADRB1KMT2AKDM4E
SCHEMBL14046821 0.80 ADRB2 (0.52) ADRB2ADRB1
SCHEMBL14260230 0.77 LMNA (0.35) LMNAADRB2ADRB1KMT2AMEN1
SCHEMBL28634561 0.75 LMNA (0.52) LMNAADRB2ADRB1SCN8ASLC6A4
SCHEMBL13392163 0.71 LMNA (0.39) LMNAADRB2ADRB1SCN8ASLC6A4

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