SCHEMBL6980100

SCHEMBL6980100

O=C1CCCCC(/C=C/c2cccs2)N1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
NR1I2 O75469 1/20 0.40
LMNA P02545 2/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HCAR2 Q8TDS4 1/20 0.36
GSK3B P49841 1/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.34
PIM1 P11309 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 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
SCHEMBL6980103 1.00 MAPT (0.43) MAPTALDH1A1NR1I2LMNAADAMTS5
SCHEMBL6969429 0.86 ALDH1A1 (0.40) MAPTALDH1A1NR1I2LMNASMN1; SMN2
SCHEMBL6969431 0.86 ALDH1A1 (0.40) MAPTALDH1A1NR1I2LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6980115 0.85 ALDH1A1 (0.39) MAPTALDH1A1NR1I2LMNASMN1; SMN2
SCHEMBL28445923 0.77 ALDH1A1 (0.40) MAPTALDH1A1NR1I2LMNASMN1; SMN2
SCHEMBL5413534 0.77 LMNA (0.39) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL6978835 0.74 NLRP3 (0.32)
SCHEMBL6978841 0.74 NLRP3 (0.32)
SCHEMBL6967599 0.69 HCAR2 (0.36) MAPTALDH1A1HCAR2KMT2APOLB
SCHEMBL6967596 0.69 HCAR2 (0.36) MAPTALDH1A1HCAR2KMT2APOLB

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