SCHEMBL8622807

SCHEMBL8622807

O=C(O)CCN1CCC(C(=O)Nc2nccn2C2CCNCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
GSK3B P49841 8/20 0.34
DYRK1A Q13627 8/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
WNT1 P04628 4/20 0.34
KDM1A O60341 1/20 0.34
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33

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
Hydrochloric Acid SCHEMBL8627102 0.88 SMN1; SMN2 (0.44) CARM1PRMT6GSK3BDYRK1AHSP90AA1
SCHEMBL8554188 0.78 CDK5 (0.43) CARM1PRMT6ITGB3ITGA2BGSK3B
Hydrochloric Acid SCHEMBL8621667 0.76 GAA (0.31) MAPTKMT2AMEN1PKM
SCHEMBL8551904 0.70 ALDH1A1 (0.51) MAPTKMT2AMEN1PKMHPGD
SCHEMBL8141352 0.70 ME3 (0.52) CARM1PRMT6ITGB3ITGA2BMAPT
SCHEMBL8625160 0.69 ADORA3 (0.41) ITGB3ITGA2BKMT2AMEN1PKM
SCHEMBL8622804 0.67 OPRL1 (0.35) ITGB3ITGA2BKDM1A
Hydrochloric Acid SCHEMBL8618549 0.67 SMN1; SMN2 (0.45) CARM1PRMT6GSK3BDYRK1AWNT1
SCHEMBL8622811 0.63 OPRL1 (0.35) ITGB3ITGA2BKDM1A
Aziridine SCHEMBL28507214 0.63 GLA (0.57) ITGB3ITGA2BKDM1AMAPT

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-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed