SCHEMBL7938491

SCHEMBL7938491

COc1ccc(C(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCN(C3CCCCC3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.73

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
SCHEMBL7935246 0.90 TACR1 (0.65) CCR3
SCHEMBL7926011 0.90 CCR3 (0.72) CCR3
SCHEMBL7934688 0.88 CCR3 (0.68) CCR3
SCHEMBL7934835 0.88 CCR3 (0.71) CCR3
SCHEMBL7925985 0.87 CCR3 (0.61) CCR3
SCHEMBL7938465 0.86 CCR3 (0.56) CCR3
SCHEMBL7938452 0.85 CCR3 (0.60) CCR3
SCHEMBL7986183 0.84 TACR1 (0.74) CCR3
SCHEMBL6478424 0.84 TACR1 (0.74) CCR3
SCHEMBL18840861 0.84 CCR3 (1.00) 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 4 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-6235732-B1 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; SKIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-05-22 US disclosed
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