SCHEMBL8562091

SCHEMBL8562091

CN1CCC(CCN2C(=O)NCC2c2ccc(CCC(=O)O)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PKM P14618 1/20 0.38
ACHE P22303 2/20 0.37
ATM Q13315 2/20 0.36
FFAR1 O14842 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PARP1 P09874 1/20 0.34
EPHX2 P34913 2/20 0.34
LTA4H P09960 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL8414033 0.88 ITGB3 (0.51) HRH3ITGB3ITGA2BATM
Hydrochloric Acid SCHEMBL8413783 0.87 ITGB3 (0.50) ITGB3ITGA2BATM
Hydrochloric Acid SCHEMBL8416948 0.84 ITGB3 (0.44) HRH3ITGB3ITGA2BFFAR1
Hydrochloric Acid SCHEMBL8417034 0.82 EPHX2 (0.35) HRH3ITGB3ITGA2BATMFFAR1
Hydrochloric Acid SCHEMBL8416019 0.79 ITGB3 (0.50) HRH3ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8417109 0.77 ATM (0.42) ITGB3ITGA2BATM
SCHEMBL8415427 0.77 HRH3 (0.35) HRH3ITGB3ITGA2BATMFFAR1
Hydrochloric Acid SCHEMBL8875412 0.76 HRH3 (0.33) HRH3ITGB3ITGA2BATMFFAR1
Hydrochloric Acid SCHEMBL8414006 0.76 HRH3 (0.34) HRH3ITGB3ITGA2BATMFFAR1
Hydrochloric Acid SCHEMBL8414227 0.74 ITGB3 (0.43) ITGB3ITGA2BFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed