SCHEMBL7975434

SCHEMBL7975434

COc1cc(OC)cc(N2CCN(C(CNC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 16/20 0.72
SLC1A2 P43004 1/20 0.50
CYP2D6 P10635 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL7987289 0.94 CCR3 (0.79) CCR3SLC1A2CYP2D6THRB
SCHEMBL7932368 0.93 CCR3 (0.73) CCR3SLC1A2THRB
SCHEMBL7986617 0.90 CCR3 (0.71) CCR3
SCHEMBL7934845 0.88 CCR3 (0.70) CCR3
SCHEMBL7926039 0.87 CCR3 (0.65) CCR3SLC1A2CYP2D6
SCHEMBL7936440 0.86 CCR3 (0.75) CCR3THRB
SCHEMBL7938443 0.85 CCR3 (0.72) CCR3SLC1A2
SCHEMBL18840917 0.84 CCR3 (1.00) CCR3SLC1A2
SCHEMBL7936483 0.84 CCR3 (0.62) CCR3SLC1A2CYP2D6
SCHEMBL7935044 0.84 CCR3 (0.57) CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191135-B1 Neurokinin antagonists BOEHRINGER INGELHEIM KG (DE) 2001-02-20 US claimed
US-6191135-B1 Neurokinin antagonists BOEHRINGER INGELHEIM KG (DE) 2001-02-20 US disclosed
US-5985881-A TREATMENT AND PREVENTION OF RESPIRATORY DISORDERS, INFLAMMATORY EYE DISEASES, INFLAMMATORY SKIN DISEASES, INTESTINAL DISORDERS, OTHER INFLAMMATORY DISEASES BOEHRINGER INGELHEIM KG (DE) 1999-11-16 US disclosed