SCHEMBL583544

SCHEMBL583544

O=C(NCc1cccc([N+](=O)[O-])c1)N(NCc1cccc([N+](=O)[O-])c1)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
PTPN1 P18031 2/20 0.47
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
EPHX1 P07099 2/20 0.44
ACKR3 P25106 1/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
KDM1A O60341 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL584550 0.77 EPHX1 (0.73) POLBALDH1A1KDM4EPTPN1EPHX1
Hydrochloric Acid SCHEMBL4862375 0.74 PTPN1 (0.51) ALDH1A1KDM4EPTPN1OPRM1OPRK1
SCHEMBL2065774 0.74 PTPN1 (0.61) POLBALDH1A1PTPN1OPRM1OPRK1
SCHEMBL583543 0.72 EPHX1 (0.66) POLBALDH1A1KDM4EPTPN1EPHX1
SCHEMBL4582840 0.72 PTPN1 (0.63) POLBALDH1A1KDM4EPTPN1OPRM1
SCHEMBL27587662 0.72 POLB (0.55) POLBALDH1A1KDM4EPTPN1OPRM1
SCHEMBL30791550 0.71 PTPN1 (0.61) POLBALDH1A1PTPN1OPRM1OPRK1
SCHEMBL951041 0.71 PTPN1 (0.61) POLBALDH1A1PTPN1OPRM1OPRK1
SCHEMBL4808309 0.71 PTPN1 (0.61) POLBALDH1A1PTPN1OPRM1OPRK1
SCHEMBL5524103 0.71 POLB (0.54) POLBALDH1A1KDM4EPTPN1OPRM1

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-2417120-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
WO-2010115836-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed