SCHEMBL16320397

SCHEMBL16320397

NC(=O)c1cc[c]c(NC2CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.44
TRPA1 O75762 1/20 0.44
EPHX2 P34913 1/20 0.44
FAAH2 Q6GMR7 1/20 0.44
MGLL Q99685 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC8 Q9BY41 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKD1 Q15139 1/20 0.38
PRKD2 Q9BZL6 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
SCHEMBL16319436 0.87 MAPK8 (0.42) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL16320026 0.87 HCAR3 (0.48) HDAC8
SCHEMBL8170956 0.85 F2 (0.40) HDAC8ALOX15
SCHEMBL16320332 0.84 RAB9A (0.52)
SCHEMBL16319748 0.82 FYN (0.43) HDAC8ALOX15
SCHEMBL16319555 0.81 HPGD (0.45) EPHX2
SCHEMBL16319407 0.79 OPRM1 (0.42) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL16319440 0.79 SMN1; SMN2 (0.48) EPHX2HDAC6HDAC8ALOX15
SCHEMBL16319842 0.77 BMPR1B (0.45)
SCHEMBL16319839 0.76 KDM4E (0.42) ALOX15

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-2544684-B1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) JANSSEN PHARMACEUTICA NV (BE) 2014-12-24 EP disclosed