SCHEMBL9519386

SCHEMBL9519386

O=[N+]([O-])CCCCCc1ccc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GPR84 Q9NQS5 2/20 0.37
CNR1 P21554 1/20 0.32
EGFR P00533 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL336689 0.85 CNR1 (0.38) ALDH1A1CNR1EGFRDRD2DRD4
SCHEMBL8955030 0.81 GPR84 (0.44) GPR84DRD2DRD4DRD3
SCHEMBL7003873 0.79 GPR84 (0.41) GPR84DRD2DRD4DRD3
SCHEMBL28009978 0.74
SCHEMBL25423256 0.72 GPR84 (0.38) GPR84DRD2DRD4DRD3
SCHEMBL4736066 0.72 GPR84 (0.59) GPR84
SCHEMBL8646071 0.72 GPR84 (0.59) GPR84
SCHEMBL5251062 0.72 HRH1 (0.48)
SCHEMBL25406384 0.72 DAO (0.39) GPR84
SCHEMBL7575666 0.72 GPR84 (0.59) GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2167203-A None JP disclosed
EP-0312723-B1 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID CO (US) 1993-12-22 EP disclosed
EP-0358047-A3 METHOD OF CONTROLLING PHYTOPATHOGENIC FUNGI AMERICAN CYANAMID COMPANY (US) 1991-05-29 EP disclosed
JP-H02167203-A CONTROL OF MICROORGANISMS AND MOLDS OF PLANT PATHOGENICITY AMERICAN CYANAMID CO 1990-06-27 JP disclosed
US-4929634-A ARYLPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1990-05-29 US disclosed
EP-0358047-A2 Method of controlling phytopathogenic fungi AMERICAN CYANAMID COMPANY (US) 1990-03-14 EP disclosed
EP-0358047-A2 Method of controlling phytopathogenic fungi AMERICAN CYANAMID COMPANY (US) 1990-03-14 EP disclosed
EP-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP disclosed