SCHEMBL12643149

SCHEMBL12643149

COCCn1cc(C=O)c2c(C(=O)N(C)C)cccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.44
CNR1 P21554 3/20 0.44
CECR2 Q9BXF3 1/20 0.42
P2RX7 Q99572 9/20 0.42
IL1B P01584 4/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2035793 0.85 PTPN7 (0.42) CNR2CNR1P2RX7IL1BPOLB
SCHEMBL2040010 0.83 CNR2 (0.48) CNR2CNR1CECR2P2RX7IL1B
SCHEMBL12643136 0.81 NPSR1 (0.49) CNR2CNR1P2RX7IL1BPOLB
SCHEMBL12643148 0.80 NPSR1 (0.51) CNR2CNR1P2RX7IL1BPOLB
SCHEMBL2034386 0.80 CNR1 (0.47) CNR2CNR1P2RX7IL1B
SCHEMBL2038316 0.80 P2RX7 (0.46) CNR2CNR1P2RX7IL1B
SCHEMBL12642978 0.79 POLB (0.48) CNR2CNR1P2RX7IL1BPOLB
SCHEMBL2039992 0.78 HTT (0.48) CNR2CNR1
SCHEMBL12642984 0.78 TDP1 (0.58) P2RX7IL1BPOLBTDP1L3MBTL1
SCHEMBL12642947 0.78 P2RX7 (0.47) P2RX7IL1BPOLBTDP1L3MBTL1

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-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed