SCHEMBL6979320

SCHEMBL6979320

O=C1CCCCC1CCCOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LTA4H P09960 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDC7 O00311 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3385822 0.84 KDM4E (0.48) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL5593717 0.82 KDM4E (0.56) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL31285559 0.81 KDM4E (0.55) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL6981334 0.80 PDE4D (0.39) KDM4EALDH1A1LTA4HCYP2C19TDP1
SCHEMBL6981338 0.80 PDE4D (0.39) KDM4EALDH1A1LTA4HCYP2C19TDP1
SCHEMBL6969080 0.80 LMNA (0.42) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL28063244 0.79 KDM4E (0.45) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL8619425 0.79 PSEN1 (0.50) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL182214 0.79 KDM4E (0.59) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL17144670 0.78 LMNA (0.43) ALDH1A1LTA4HCDC7TSHRLMNA

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