SCHEMBL7837595

SCHEMBL7837595

O=C(C(=O)N1CCNCC1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.68
POLB P06746 1/20 0.56
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KHK P50053 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
ABCC1 P33527 1/20 0.44
OPRD1 P41143 1/20 0.44
PHGDH O43175 1/20 0.44
HPGD P15428 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 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
SCHEMBL12018338 0.86 CES2 (0.56) SIGMAR1USP2ALDH1A1CES2CES1
SCHEMBL12489727 0.82 HPGD (0.62) POLBUSP2ALDH1A1CES2CES1
SCHEMBL5564719 0.81 HPGD (0.66) POLBUSP2ALDH1A1HPGD
SCHEMBL894920 0.81 SIGMAR1 (1.00) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL28393 0.81 SIGMAR1 (1.00) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL28784201 0.80 SIGMAR1 (0.60) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL27784860 0.80 SIGMAR1 (0.60) SIGMAR1POLBUSP2ALDH1A1TSHR
Piperazine SCHEMBL28228981 0.79 SIGMAR1 (0.96) SIGMAR1POLBUSP2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL1597474 0.79 SIGMAR1 (0.96) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL9644712 0.79 SIGMAR1 (0.96) SIGMAR1POLBUSP2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP claimed
US-8414982-B2 Process for the production of strongly adherent coatings BASF SE (DE) 2013-04-09 US disclosed
US-8414982-B2 Process for the production of strongly adherent coatings BASF SE (DE) 2013-04-09 US disclosed
EP-1836002-B1 PROCESS FOR THE PRODUCTION OF STRONGLY ADHERENT COATINGS BASF SE (DE) 2012-08-29 EP disclosed
US-20090092768-A1 Process for the Production of Strongly Adherent Coatings CIBA SPECIALTY CHEMICALS CORP. 2009-04-09 US disclosed
US-20090092768-A1 Process for the Production of Strongly Adherent Coatings CIBA SPECIALTY CHEMICALS CORP. 2009-04-09 US disclosed
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP disclosed
EP-0657421-B1 Hydrazine derivatives and their use as insecticides NIHON NOHYAKU CO LTD (JP) 1999-04-21 EP disclosed
US-5608109-A AGRICULTURAL AND HORTICULTURAL INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 1997-03-04 US disclosed
EP-0657421-A1 Hydrazine derivatives and their use as insecticides NIHON NOHYAKU CO., LTD. (JP) 1995-06-14 EP disclosed