SCHEMBL14715735

SCHEMBL14715735

NC(=O)[C@H]1CC[C@H](CCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 19/20 0.54
HRH1 P35367 18/20 0.54
KCNH2 Q12809 14/20 0.52

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
SCHEMBL3965013 1.00 CCR3 (0.54) CCR3HRH1KCNH2
SCHEMBL14715736 0.85 HRH1 (0.50) CCR3HRH1KCNH2
SCHEMBL14715703 0.85 HRH1 (0.50) CCR3HRH1KCNH2
SCHEMBL3969152 0.83 NAMPT (0.48) CCR3HRH1
SCHEMBL14715740 0.83 DRD2 (0.47)
SCHEMBL14715680 0.83 NAMPT (0.48) CCR3HRH1
SCHEMBL3084998 0.81 NAMPT (0.55)
SCHEMBL3085000 0.81 NAMPT (0.55)
SCHEMBL14715670 0.81 HRH1 (0.47) CCR3HRH1KCNH2
SCHEMBL3956550 0.81 HRH1 (0.47) CCR3HRH1KCNH2

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
EP-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP claimed