SCHEMBL7498554

SCHEMBL7498554

Clc1ccc(CCCCNc2ccnc3cc(Cl)ccc23)cc1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.82
FERMT2 Q96AC1 4/20 0.72
CYP1A2 P05177 1/20 0.72
NR4A2 P43354 1/20 0.64
HRH3 Q9Y5N1 8/20 0.62

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
SCHEMBL7502923 0.96 CCR1 (0.79) CCR1FERMT2CYP1A2NR4A2HRH3
SCHEMBL7500391 0.91 CYP1A2 (0.78) CCR1FERMT2CYP1A2NR4A2HRH3
SCHEMBL17527057 0.89 CCR1 (0.97) CCR1FERMT2CYP1A2NR4A2HRH3
SCHEMBL15481296 0.89 CCR1 (0.97) CCR1FERMT2CYP1A2NR4A2HRH3
SCHEMBL12643220 0.89 CCR1 (0.97) CCR1FERMT2CYP1A2NR4A2HRH3
SCHEMBL7507964 0.87 CCR1 (0.68) CCR1FERMT2CYP1A2NR4A2HRH3
SCHEMBL19407562 0.86 CCR1 (0.91) CCR1FERMT2CYP1A2NR4A2HRH3
SCHEMBL23640948 0.85 CCR1 (0.89) CCR1FERMT2CYP1A2NR4A2HRH3
SCHEMBL18163919 0.85 CCR1 (0.89) CCR1FERMT2CYP1A2NR4A2HRH3
SCHEMBL17527102 0.85 CCR1 (0.89) CCR1FERMT2CYP1A2NR4A2HRH3

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
EP-0326331-B1 Substituted quinolines and cinnolines DOW AGROSCIENCES LLC (US) 2002-04-17 EP claimed
CN-1034204-C Substituted quinolines and cinnolines LILLY CO ELI (US) 1997-03-12 CN claimed
EP-0326331-A2 Substituted quinolines and cinnolines DowElanco (US) 1989-08-02 EP claimed
EP-0326331-B1 Substituted quinolines and cinnolines DOW AGROSCIENCES LLC (US) 2002-04-17 EP disclosed
CN-1034204-C Substituted quinolines and cinnolines LILLY CO ELI (US) 1997-03-12 CN disclosed
US-5294622-A Fungicides, insecticides, miticides DOWELANCO (US) 1994-03-15 US disclosed
US-5114939-A Amine or ether substitutes compounds of quinoline or cinnoline DOWELANCO (US) 1992-05-19 US disclosed
EP-0326331-A2 Substituted quinolines and cinnolines DowElanco (US) 1989-08-02 EP disclosed