SCHEMBL7270850

SCHEMBL7270850

CCCCCN1CCCCC1CO

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.58
SPHK1 Q9NYA1 5/20 0.58
S1PR1 P21453 3/20 0.55
S1PR3 Q99500 3/20 0.55
S1PR5 Q9H228 3/20 0.55
S1PR4 O95977 1/20 0.54
GBA1 P04062 4/20 0.47
OPRD1 P41143 1/20 0.47
GBA2 Q9HCG7 8/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL23865736 1.00 SPHK2 (0.58) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL23866033 1.00 SPHK2 (0.58) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL11194154 0.98 SPHK2 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL11195122 0.98 SPHK2 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL6600533 0.98 SPHK2 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL11206595 0.98 SPHK2 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL7367083 0.95 SPHK2 (0.56) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL23777202 0.95 SPHK2 (0.56) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL20330675 0.95 SPHK2 (0.64) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL4383140 0.95 SPHK2 (0.64) SPHK2SPHK1S1PR1S1PR3S1PR5

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
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US disclosed
EP-0429984-B1 Indole derivatives NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5124324-A Psychological disorders, 5-hydroxy tryptamine antagonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-06-23 US disclosed
EP-0429984-A2 Indole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-06-05 EP disclosed
US-4260623-A Hexahydro-1-arylspiro(3H-oxazolo(3,4-A)pyridine-3,4'-piperidene) antidepressants, pharmaceutical compositions thereof and method of use thereof WARNER-LAMBERT COMPANY (US) 1981-04-07 US disclosed