SCHEMBL6877320

SCHEMBL6877320

COC[C@H](NC=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MAN2A1 Q16706 1/20 0.42
MAN1B1 Q9UKM7 1/20 0.42
EPHX1 P07099 1/20 0.42
HPGD P15428 1/20 0.41
TACR3 P29371 1/20 0.40
TSHR P16473 1/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
NAMPT P43490 1/20 0.39
MAPK1 P28482 3/20 0.39
EGFR P00533 2/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL12696384 0.86 TACR1 (0.45) TACR1TAS1R3TAS1R1KMT2AMEN1
SCHEMBL20459563 0.83 MAPK1 (0.41) MAPK1
SCHEMBL22873009 0.83 TACR1 (0.42) TACR1KMT2AMEN1TAAR1MAN2A1
SCHEMBL22456931 0.81 TACR1 (0.41) TACR1KMT2AMEN1TAAR1MAN2A1
SCHEMBL9667082 0.80 TACR1 (0.40) TACR1KMT2AMEN1TAAR1EPHX1
SCHEMBL5223140 0.79 MEN1 (0.47) TACR1TAS1R3TAS1R1KMT2AMEN1
SCHEMBL13317650 0.79 MEN1 (0.47) TACR1TAS1R3TAS1R1KMT2AMEN1
SCHEMBL24304092 0.79 TACR1 (0.51) TACR1KMT2AMEN1TAAR1MAN2A1
SCHEMBL11211111 0.78 EPHX1 (0.44) TACR1KMT2AMEN1TAAR1EPHX1
SCHEMBL23642178 0.78 SLC6A4 (0.37) TACR1TAS1R3TAS1R1

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-2292589-A1 Novel multifunctional peptidase inhibitors, especially for medical use IMTM GmbH (DE) 2011-03-09 EP disclosed