SCHEMBL6975591

SCHEMBL6975591

N=C1CCCCC(CCn2cncn2)N1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 2/20 0.33
HPGD P15428 1/20 0.33
CYP19A1 P11511 1/20 0.33
EGLN3 Q9H6Z9 2/20 0.33
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
S1PR1 P21453 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
SCHEMBL6976645 0.78 MEN1 (0.40) ALDH1A1
SCHEMBL6969889 0.77 CYP19A1 (0.31) CYP19A1
SCHEMBL6978422 0.76 CYP19A1 (0.46) ALOX15CYP19A1
SCHEMBL6979882 0.69
SCHEMBL6976741 0.69 NOS3 (0.39)
SCHEMBL6970814 0.69 CYP1A2 (0.33) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL6976024 0.69 RAD52 (0.40) SMN1; SMN2POLB
SCHEMBL7618513 0.68 NOS1 (0.37)
SCHEMBL7620769 0.68
SCHEMBL6973794 0.68 CYP1A2 (0.38) TSHRALDH1A1SMN1; SMN2LMNAKDM4E

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 7 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
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed