SCHEMBL6299272

SCHEMBL6299272

ClCCCc1ccccc1Sc1ccccc1CCCCl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.38
SLC6A2 P23975 6/20 0.38
SLC6A3 Q01959 5/20 0.38
LMNA P02545 2/20 0.38
IFNAR1 P17181 1/20 0.36
PRMT3 O60678 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
APOBEC3G Q9HC16 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPY1R P25929 1/20 0.35
MAPK1 P28482 1/20 0.35
NPY2R P49146 1/20 0.35
PRMT1 Q99873 1/20 0.34
CHRNA7 P36544 1/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL9629224 0.94 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3LMNAIFNAR1
SCHEMBL6298442 0.92 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3LMNAIFNAR1
SCHEMBL587835 0.86 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3LMNAIFNAR1
SCHEMBL1576764 0.78 LIPG (0.46) SLC6A4SLC6A2SLC6A3LMNAIFNAR1
SCHEMBL10455675 0.78 LMNA (0.42) SLC6A4SLC6A2SLC6A3LMNAIFNAR1
SCHEMBL8227185 0.77 LIPG (0.53) SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL5250559 0.77 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3LMNAIFNAR1
SCHEMBL4712351 0.76 ALDH1A1 (0.38) ALDH1A1MAPTCASP3RAB9ANPSR1
SCHEMBL786161 0.75 LIPG (0.56)
SCHEMBL5443171 0.75 LIPG (0.56)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6942966-B1 libraries formed by permutations; combinatorial chemistry; drug screening ISIS PHARMACEUTICALS, INC. (US) 2005-09-13 US disclosed
US-6559303-B1 Bridgehead atoms are bonded to one or more bridges that interconnect one or more ring systems thereby forming a large cyclic structure. Located in each bridge are two or more nitrogenous moieties that are derivatized with chemical ISIS PHARMACEUTICALS, INC. 2003-05-06 US disclosed
US-6329523-B1 FOR ANTIBACTERIAL PHARMACEUTICAL USE, USEFUL FOR IDENTIFYING METAL CHELATING SPECIES FOR ?HEAVY METAL? THERAPY; IMAGING AGENTS ISIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
US-6207826-B1 Macrocyclic compounds having nitrogen-containing linkages ISIS PHARMACEUTICALS, INC. 2001-03-27 US disclosed
US-6197965-B1 POLYARYLALKYLAMINO-SUBSTITUED PYRIDINE DERIVATIVES; DRUGS, MEDICINE, DIAGNOSTICS ISIS PHARMACEUTICALS, INC. 2001-03-06 US disclosed
EP-0817787-A4 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS INC (US) 2000-09-13 EP disclosed
EP-0817787-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1998-01-14 EP disclosed
WO-1996030377-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1996-10-03 WO disclosed