SCHEMBL1163447

SCHEMBL1163447

CNCCc1cn(C)c2ccc(F)c(OC(CO)c3ccccc3Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.36
SNCA P37840 1/20 0.34
CDK2 P24941 1/20 0.32
SLC6A4 P31645 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ADRB2 P07550 1/20 0.31
NQO2 P16083 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
P2RX7 Q99572 2/20 0.30
IL1B P01584 1/20 0.30

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
SCHEMBL1163444 0.83 TAAR1 (0.36) TAAR1SNCACDK2SLC6A4RXFP1
SCHEMBL1163156 0.79 TAAR1 (0.47) TAAR1SNCACDK2SLC6A4RXFP1
SCHEMBL1163064 0.77 TAAR1 (0.48) TAAR1SNCACDK2RXFP1ADRB2
SCHEMBL1163544 0.77 TAAR1 (0.38) TAAR1SLC6A4ADRB2NQO2MTNR1A
SCHEMBL1163327 0.73 TAAR1 (0.50) TAAR1SLC6A4ADRB2
SCHEMBL19650679 0.73 TAAR1 (0.40) TAAR1SNCASLC6A4
SCHEMBL1163258 0.72 TAAR1 (0.41) TAAR1SNCASLC6A4ADRB2NQO2
SCHEMBL1163053 0.72 SMN1; SMN2 (0.37) SNCASLC6A4ADRB2P2RX7
SCHEMBL1162971 0.72 HTR1B (0.43) TAAR1ADRB2NQO2MTNR1AMTNR1B
SCHEMBL1162934 0.72 TAAR1 (0.42) TAAR1CDK2ADRB2NQO2MTNR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP claimed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO claimed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO disclosed