SCHEMBL7974335

SCHEMBL7974335

O=C(NCCC1CCNCC1)c1cc[c]cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.60
ITGA2B P08514 6/20 0.60
ROCK2 O75116 2/20 0.48
CHRM1 P11229 1/20 0.47
ACHE P22303 1/20 0.46
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
ITGA2 P17301 1/20 0.43
CHRM4 P08173 1/20 0.42
ABL1 P00519 1/20 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
SCHEMBL26668519 0.90 ITGB3 (0.67) ITGB3ITGA2BROCK2CHRM1ACHE
SCHEMBL3039617 0.85 SMYD3 (0.53) CHRM1CHRM4
SCHEMBL4633308 0.85 ITGB3 (0.74) ITGB3ITGA2BROCK2CHRM1ACHE
SCHEMBL3039855 0.77 SMYD3 (0.50)
SCHEMBL7974331 0.77 ITGB3 (0.53) ITGB3ITGA2BROCK2CHRM1ACHE
SCHEMBL2555567 0.76 ITGB3 (0.62) ITGB3ITGA2BCHRM1ACHE
SCHEMBL10724023 0.73 LDLR (0.62) ACHE
SCHEMBL8393574 0.73 ACHE (0.69) ITGB3ITGA2BACHECHRM4
SCHEMBL27627004 0.73 MAPK14 (0.52)
SCHEMBL1099357 0.72 HDAC4 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed