SCHEMBL6979522

SCHEMBL6979522

O=C1CCCCC(C(C[N+](=O)[O-])c2ncc[nH]2)N1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL6973284 0.81 CA1 (0.34) KMT2ACNR1
SCHEMBL6974269 0.76 CNR1 (0.41) KMT2ACNR1
SCHEMBL6980056 0.71 NOS3 (0.33) CNR1
SCHEMBL6977981 0.65 ALDH1A1 (0.41) KMT2A
SCHEMBL6979530 0.65 SLC6A3 (0.39)
SCHEMBL6978415 0.65 CNR1 (0.41) KMT2ACNR1
SCHEMBL6977300 0.62 KMT2A (0.45) KMT2ACNR1
SCHEMBL9195562 0.60 TBXAS1 (0.34)
SCHEMBL6969450 0.59 MEN1 (0.38) KMT2A
SCHEMBL5197876 0.59 ALDH1A1 (0.39) KMT2A

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