SCHEMBL5069857

SCHEMBL5069857

CN=C(C(=O)O)c1ccccc1CCNC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.44
ATM Q13315 1/20 0.41
FOLH1 Q04609 1/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CLCN2 P51788 1/20 0.37
ADRB2 P07550 1/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTR2A P28223 2/20 0.36
SLC6A2 P23975 1/20 0.36
HTR1A P08908 1/20 0.36
MTNR1A P48039 1/20 0.35
HTR6 P50406 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL5067930 0.87 TAAR1 (0.42) TAAR1ATMFOLH1ALDH1A1LMNA
SCHEMBL4122275 0.83 TAAR1 (0.40) TAAR1ATMFOLH1ALDH1A1LMNA
SCHEMBL4122272 0.82 SMN1; SMN2 (0.42) TAAR1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL4115922 0.81 TAAR1 (0.38) TAAR1ATMFOLH1ALDH1A1LMNA
SCHEMBL5069994 0.81 TAAR1 (0.49) TAAR1ATMFOLH1ALDH1A1LMNA
SCHEMBL11526125 0.80 FOLH1 (0.59) TAAR1ATMFOLH1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL28502672 0.79 FOLH1 (0.58) TAAR1ATMFOLH1ALDH1A1LMNA
SCHEMBL11525146 0.76 FOLH1 (0.54) TAAR1ATMFOLH1ALDH1A1CLCN2
SCHEMBL4563077 0.76 TAAR1 (0.50) TAAR1ATMFOLH1ALDH1A1LMNA
SCHEMBL5069856 0.74 HTR2A (0.38) TAAR1FOLH1ALDH1A1LMNAKDM4E

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-1985615-A1 METHOD FOR PRODUCING BENZAZEPINONE API Corporation (JP) 2008-10-29 EP disclosed