SCHEMBL6974778

SCHEMBL6974778

COC1=NC(CC2CN(c3ccccc3)N=C2c2ccccc2)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 6/20 0.38
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 4/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
RECQL P46063 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MEN1 O00255 4/20 0.34
HPGD P15428 4/20 0.34
KMT2A Q03164 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
APEX1 P27695 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6969706 0.85 KDM4E (0.34) GLAMAPTALDH1A1GAAKDM4E
SCHEMBL6969700 0.72 KDM4E (0.37) GLAMAPTALDH1A1GAAKDM4E
SCHEMBL6977478 0.72 KDM4E (0.37) GLAMAPTALDH1A1GAAKDM4E
SCHEMBL6975081 0.69 FFAR1 (0.38)
SCHEMBL6975534 0.69 NOS3 (0.55)
SCHEMBL11153238 0.65 L3MBTL1 (0.40) GLAMAPTALDH1A1GAAKDM4E
SCHEMBL6977501 0.65 NOS1 (0.54)
SCHEMBL6977862 0.65 TAAR1 (0.45)
SCHEMBL11050112 0.65 ALDH1A1 (0.46) GLAMAPTALDH1A1GAAKDM4E
SCHEMBL6979894 0.64 KDM4E (0.41) MAPTALDH1A1KDM4ERAB9ARECQL

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 5 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-6043261-A TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS G. D. SEARLE & CO. (US) 2000-03-28 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 US disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed