SCHEMBL6969713

SCHEMBL6969713

N=C1CCCCC(Cc2ccc(CC(=O)O)cc2)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CA2 P00918 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
HNF4A P41235 1/20 0.38
AKR1B1 P15121 1/20 0.37
ABCC4 O15439 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
HTT P42858 1/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
SRD5A2 P31213 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ENPP2 Q13822 1/20 0.35
CTSD P07339 1/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL6971463 0.83 POLB (0.56) POLBCTSD
Hydrochloric Acid SCHEMBL6968507 0.82 POLB (0.54) POLBCTSDKMT2AMEN1
SCHEMBL6967974 0.79 POLB (0.39) POLBTSHRALDH1A1
SCHEMBL6968367 0.79 POLB (0.39) POLBLMNAGAAHTTALDH1A1
SCHEMBL6969278 0.79 POLB (0.53) POLBCTSD
Hydrochloric Acid SCHEMBL6970680 0.77 POLB (0.51) POLBCTSDKMT2AMEN1
SCHEMBL7627309 0.77 ITGB3 (0.44) POLBALDH1A1
SCHEMBL6972927 0.76 SMN1; SMN2 (0.43) POLBLMNAGAATSHRHRH3
SCHEMBL6967168 0.75 LTA4H (0.39) POLBALDH1A1
SCHEMBL9063736 0.73 CA2 (0.50) CA2CAMK2AAKR1B1ABCC4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US claimed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP claimed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO claimed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed