SCHEMBL10569566

SCHEMBL10569566

COCC1CCN(c2ccncn2)C1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.36
SORD Q00796 1/20 0.35
GRM1 Q13255 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ROCK2 O75116 1/20 0.31
PRKG1 Q13976 1/20 0.31
AR P10275 1/20 0.30
MAP4K4 O95819 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10565487 0.83 SORD (0.42) GPR119SORDGRM1AR
Hydrochloric Acid SCHEMBL27675360 0.82 SORD (0.35) GPR119SORDGRM1PDCD1LG2CD274
SCHEMBL27693764 0.77 ROCK2 (0.48) CHRNB4CHRNA3ROCK2
SCHEMBL26972646 0.75 GRM1 (0.40) GPR119SORDGRM1ROCK2PRKG1
SCHEMBL30803917 0.73 PIM1 (0.42) GPR119SORDGRM1MAP4K4
SCHEMBL10569035 0.72 MAP4K4 (0.46) GPR119SORDGRM1PDCD1LG2CD274
SCHEMBL31087030 0.71 CYP2D6 (0.48)
SCHEMBL10332985 0.66 LRRK2 (0.48) GPR119SORDGRM1
SCHEMBL31087011 0.65 GPR119 (0.36) GPR119SORDGRM1ROCK2PRKG1
SCHEMBL13703139 0.65 GPR119 (0.52) GPR119SORDGRM1LMNAMAPT

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
US-4820708-A ANTISECRETORY AGENTS; GASTROINTESTINAL DISORDERS SMITH KLINE & FRENCH LABORATORIES (GB) 1989-04-11 US disclosed
US-4777172-A ANTIGASTRIC ACID SECRETORY AGENT SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-10-11 US disclosed
CN-86102398-A The preparation method of substituted benzimidazole derivative 1986-11-12 CN disclosed
EP-0198583-A1 Heterocyclic compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-10-22 EP disclosed