SCHEMBL8554145

SCHEMBL8554145

O=C(OC(=O)N1CCN(c2ccncc2)CC1)C1CCCN(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HRH3 Q9Y5N1 2/20 0.46
CYP2C9 P11712 4/20 0.45
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
HIF1A Q16665 2/20 0.45
LSS P48449 1/20 0.44
NOTUM Q6P988 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL31401390 0.77 KDM4E (0.46) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7380339 0.76 NOTUM (0.59) ALDH1A1MEN1KMT2ACYP2C9NOTUM
Hydrochloric Acid SCHEMBL4681351 0.75 NOTUM (0.58) ALDH1A1MEN1KMT2ACYP2C9NOTUM
SCHEMBL8554143 0.75 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1CYP2C9NOTUMPOLB
SCHEMBL8547322 0.75 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPK1MAPTHTT
SCHEMBL28087158 0.74 NOTUM (0.56) SMN1; SMN2ALDH1A1MAPK1MAPTHTT
SCHEMBL4684573 0.74 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1MAPTHTTMEN1
SCHEMBL613112 0.72 NOTUM (0.81) SMN1; SMN2ALDH1A1MAPK1MAPTHTT
SCHEMBL4961935 0.72 NOTUM (0.81) SMN1; SMN2ALDH1A1MAPK1MAPTHTT
SCHEMBL31175186 0.71 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1HTTKMT2ATSHR

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-5795893-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-08-18 US disclosed