SCHEMBL4701164

SCHEMBL4701164

O=C(NC1CCNCC1)C1CCCC1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.84
EPHX1 P07099 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CCR2 P41597 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 2/20 0.45
EPHX2 P34913 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.45
HSD11B1 P28845 2/20 0.44
CYP2D6 P10635 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
GAA P10253 1/20 0.44
CYP3A4 P08684 1/20 0.43
RAB9A P51151 1/20 0.43

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
Hydrochloric Acid SCHEMBL26133008 0.98 POLB (0.81) POLBEPHX1L3MBTL1TSHRMAPT
SCHEMBL6378905 0.98 POLB (0.81) POLBEPHX1L3MBTL1TSHRMAPT
SCHEMBL24323730 0.98 POLB (0.81) POLBEPHX1L3MBTL1TSHRMAPT
Hydrochloric Acid SCHEMBL4711713 0.96 POLB (0.78) POLBEPHX1L3MBTL1TSHRMAPT
SCHEMBL1437818 0.92 POLB (0.77) POLBEPHX1L3MBTL1TSHRMAPT
SCHEMBL10080421 0.91 POLB (0.91) POLBEPHX1L3MBTL1TSHRALDH1A1
SCHEMBL7512372 0.91 POLB (1.00) POLBEPHX1L3MBTL1TSHRALDH1A1
SCHEMBL1972336 0.90 POLB (0.74) POLBEPHX1L3MBTL1MAPTHTT
SCHEMBL3274450 0.90 POLB (0.74) POLBEPHX1L3MBTL1MAPTHTT
Hydrochloric Acid SCHEMBL30473852 0.89 POLB (0.88) POLBEPHX1L3MBTL1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2814828-B9 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES RES TRIANGLE INST (US) 2020-10-07 EP disclosed
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP disclosed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 WO disclosed