SCHEMBL4016447

SCHEMBL4016447

O=C(O)CCCCC1CCNNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.55
ITGA2B P08514 3/20 0.55
KDM5A P29375 4/20 0.49
PHF8 Q9UPP1 4/20 0.49
KDM2A Q9Y2K7 4/20 0.49
KDM4C Q9H3R0 3/20 0.49
KDM7A Q6ZMT4 1/20 0.49
KDM4A O75164 1/20 0.45
LMNA P02545 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
PMP22 Q01453 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL5751261 0.88 ITGB3 (0.69) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL17440475 0.86 ITGB3 (0.67) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL11329424 0.85 KDM5A (0.61) ITGB3ITGA2BKDM5APHF8KDM2A
Hydrochloric Acid SCHEMBL29119874 0.85 ITGB3 (0.65) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL11848931 0.83 KDM5A (0.65) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL4449247 0.83 KDM5A (0.65) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL11849540 0.83 KDM5A (0.65) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL16046794 0.83 KDM5A (0.65) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL826408 0.83 KDM5A (0.65) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL1457469 0.83 KDM5A (0.65) ITGB3ITGA2BKDM5APHF8KDM2A

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-2009091813-A1 COMPOUNDS USEFUL AS ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS WYETH (US) 2009-07-23 WO disclosed