SCHEMBL1668899

SCHEMBL1668899

O=C(O)NCc1cccc(C2CCN(C(=O)c3ccc(O)c(O)c3)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.46
MGLL Q99685 2/20 0.45
HTR1A P08908 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TRPV6 Q9H1D0 1/20 0.45
QDPR P09417 1/20 0.44
DRD4 P21917 1/20 0.44
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL25321962 0.89 ERN1 (0.44) EGLN1MGLLHTR1AHTR1BHTR2A
SCHEMBL19387560 0.88 MGLL (0.46) EGLN1MGLLCA12CA1CA2
SCHEMBL1668837 0.88 MGLL (0.56) MGLL
SCHEMBL13976872 0.88 MGLL (0.46) MGLLCA12CA1CA2CA9
SCHEMBL13976871 0.88 MGLL (0.46) MGLLCA12CA1CA2CA9
SCHEMBL15985380 0.88 QDPR (0.48) MGLLCA12CA1CA2CA9
SCHEMBL14879836 0.86 MGLL (0.51) EGLN1MGLLPARP14PARP10
SCHEMBL15981376 0.85 MGLL (0.46) MGLLCA12CA1CA2CA9
SCHEMBL1668896 0.85 CNR2 (0.44) EGLN1MGLLTRPV6QDPR
SCHEMBL12801511 0.84 TPSAB1 (0.56) CA12CA1CA2CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed