SCHEMBL9684004

SCHEMBL9684004

O=C(O)CCC1CCN(Cc2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.64
BCHE P06276 2/20 0.64
LTA4H P09960 2/20 0.55
CCR3 P51677 1/20 0.54
EPHX2 P34913 1/20 0.54
CXCR4 P61073 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL1138416 0.91 ACHE (0.76) ACHEBCHELTA4HCCR3
Hydrochloric Acid SCHEMBL3156661 0.90 ACHE (0.77) ACHEBCHELTA4HCCR3
SCHEMBL7695896 0.85 LTA4H (0.65) ACHEBCHELTA4HCCR3CXCR4
SCHEMBL6823142 0.83 CCR3 (0.58) ACHEBCHELTA4HCCR3CXCR4
SCHEMBL8340597 0.83 CCR3 (0.58) ACHEBCHELTA4HCCR3CXCR4
SCHEMBL6312697 0.83 CXCR4 (0.59) ACHEBCHECCR3CXCR4
SCHEMBL994263 0.82 FUCA1 (0.51) ACHEBCHE
SCHEMBL7853462 0.81 ACHE (0.74) ACHEBCHECCR3GAA
Oxalic Acid SCHEMBL10461399 0.81 CYP2D6 (0.66) ACHEBCHECCR3CXCR4GAA
SCHEMBL12513916 0.80 CCR3 (0.58) ACHEBCHECCR3CXCR4

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-5134147-A Antipsychotic agents ADIR ET COMPAGNIE (FR) 1992-07-28 US disclosed
US-5100902-A Dopamine and Serotonin Antagonists, Antipsychotic Agents ADIR ET COMPAGNIE (FR) 1992-03-31 US disclosed