SCHEMBL6967974

SCHEMBL6967974

N=C1CCCCC(Cc2ccc(N)cc2)N1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 2/20 0.36
GSK3B P49841 1/20 0.34
TBXA2R P21731 1/20 0.34
MAPT P10636 1/20 0.33
EPHX1 P07099 1/20 0.33
CYP26A1 O43174 2/20 0.33
GFER P55789 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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 0.85 POLB (0.56) POLB
SCHEMBL6968367 0.84 POLB (0.39) POLBALDH1A1
Hydrochloric Acid SCHEMBL6968507 0.84 POLB (0.54) POLB
SCHEMBL11476670 0.81 CTSD (0.45) POLBHTR6ALDH1A1GSK3BMAPT
SCHEMBL6967168 0.80 LTA4H (0.39) POLBALDH1A1
SCHEMBL6969278 0.80 POLB (0.53) POLB
SCHEMBL6969713 0.79 POLB (0.42) POLBALDH1A1TSHR
Hydrochloric Acid SCHEMBL6970680 0.79 POLB (0.51) POLB
SCHEMBL6972927 0.78 SMN1; SMN2 (0.43) POLBALDH1A1TBXA2RMAPTEPHX1
SCHEMBL76518 0.77 CTSD (0.45) POLBHTR6GSK3BMAPTCYP26A1

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
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
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