SCHEMBL16015169

SCHEMBL16015169

O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCCN1)C1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.46
DPP7 Q9UHL4 2/20 0.44
HTR2C P28335 3/20 0.43
HTR2B P41595 1/20 0.43
SCN4A P35499 1/20 0.41
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
DPP4 P27487 4/20 0.39
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
CTSC P53634 1/20 0.38
PSMB8 P28062 1/20 0.37
FAP Q12884 1/20 0.37

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
SCHEMBL12348733 1.00 PRCP (0.46) PRCPDPP7HTR2CHTR2BSCN4A
SCHEMBL3669478 0.84 SCN4A (0.47) PRCPDPP7HTR2CHTR2BSCN4A
SCHEMBL17676964 0.84 SCN4A (0.47) PRCPDPP7HTR2CHTR2BSCN4A
SCHEMBL3333289 0.84 SCN4A (0.47) PRCPDPP7HTR2CHTR2BSCN4A
SCHEMBL9825084 0.82 EPHX1 (0.48) PRCPDPP7HTR2CHTR2BSCN4A
SCHEMBL7265700 0.82 EPHX1 (0.48) PRCPDPP7HTR2CHTR2BSCN4A
SCHEMBL5157107 0.82 EPHX1 (0.48) PRCPDPP7HTR2CHTR2BSCN4A
SCHEMBL17676973 0.82 EPHX1 (0.48) PRCPDPP7HTR2CHTR2BSCN4A
SCHEMBL3330098 0.82 SCN4A (0.48) PRCPDPP7HTR2CHTR2BSCN4A
SCHEMBL3332602 0.82 SCN4A (0.48) PRCPDPP7HTR2CHTR2BSCN4A

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
US-8829208-B2 Process for the preparation of darunavir and darunavir intermediates MAPI PHARMA LTD. (IL) 2014-09-09 US disclosed
US-8829208-B2 Process for the preparation of darunavir and darunavir intermediates MAPI PHARMA LTD. (IL) 2014-09-09 US disclosed