SCHEMBL8615084

SCHEMBL8615084

O=C(O)CC1CCC(N2CCCCC2CCCNc2ccncc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
GRIN2B Q13224 1/20 0.35
ALDH1A1 P00352 2/20 0.34
FFAR4 Q5NUL3 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
PAX8 Q06710 1/20 0.33
DGAT1 O75907 1/20 0.32
KDM4E B2RXH2 1/20 0.32
METAP2 P50579 1/20 0.32
NAMPT P43490 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8300686 0.78 NAMPT (0.43) ITGB3ITGA2BMEN1KMT2ACYP2D6
SCHEMBL8298652 0.76 ITGB3 (0.45) ITGB3ITGA2BMEN1KMT2ACYP2D6
SCHEMBL8300507 0.76 KDM4E (0.43) ITGB3ITGA2BMEN1KMT2ACYP2D6
SCHEMBL8304879 0.75 KDM4E (0.42) ITGB3ITGA2BMEN1KMT2ACYP2D6
SCHEMBL8300679 0.74 CCR3 (0.39) ITGB3ITGA2BCYP2D6CYP2C9GRIN2B
SCHEMBL8300003 0.73 CCR3 (0.39) ITGB3ITGA2BCYP2D6CYP2C9GRIN2B
SCHEMBL8300030 0.73 KDM4E (0.45) ITGB3ITGA2BMEN1KMT2ACYP2D6
SCHEMBL8302166 0.71 ITGB3 (0.39) ITGB3ITGA2BCYP2D6CYP2C9GRIN2B
SCHEMBL8615087 0.71 ITGB3 (0.36) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL8300331 0.68 KDM4E (0.43) ITGB3ITGA2BMEN1KMT2ACYP2D6

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
US-5786371-A INHIBIT AGGREGATION OF BLOOD PLATELETS BOEHRINGER MANNHEIM GMBH (DE) 1998-07-28 US disclosed