SCHEMBL6980292

SCHEMBL6980292

O=C1CCCCC(Cc2c(Cl)cccc2Cl)N1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTSD P07339 1/20 0.39
PDCD1LG2 Q9BQ51 3/20 0.36
CD274 Q9NZQ7 3/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
CA1 P00915 2/20 0.34
ALOX5 P09917 1/20 0.34
P2RX7 Q99572 1/20 0.34
KCNA5 P22460 2/20 0.34
HSD11B1 P28845 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL6969853 0.82 GLA (0.41) GLAHTTNPSR1KMT2ALMNA
SCHEMBL11470429 0.78 CTSD (0.45) CTSDALOX5KCNA5POLB
SCHEMBL23459341 0.76 CTSD (0.58) CTSDPOLB
SCHEMBL6970123 0.76 CTSD (0.58) CTSDPOLB
SCHEMBL8550523 0.76 GLA (0.36) GLAHTTNPSR1
SCHEMBL5966548 0.75 CTSD (0.45) CTSDALOX5KCNA5POLB
SCHEMBL1429568 0.72 POLB (0.50) GLAHTTNPSR1KMT2APOLB
SCHEMBL11476670 0.72 CTSD (0.45) CTSDPOLB
SCHEMBL6974107 0.72 KCNA5 (0.47) CTSDGAAKCNA5POLB
SCHEMBL11790841 0.72 CA1 (0.51) GLAHTTNPSR1KMT2AGAA

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