SCHEMBL7934778

SCHEMBL7934778

COc1ccccc1C(CNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCN(C2CCCCC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 12/20 0.75
TACR1 P25103 8/20 0.74

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
SCHEMBL7932773 0.98 CCR3 (0.77) CCR3TACR1
SCHEMBL7925950 0.98 CCR3 (0.77) CCR3TACR1
SCHEMBL7934923 0.98 CCR3 (0.76) CCR3TACR1
SCHEMBL7989454 0.94 TACR1 (0.77) CCR3TACR1
SCHEMBL7989699 0.89 TACR1 (0.64) CCR3TACR1
SCHEMBL7935508 0.87 TACR1 (0.97) TACR1
SCHEMBL7925949 0.87 CCR3 (0.61) CCR3TACR1
SCHEMBL7925945 0.87 TACR1 (0.79) CCR3TACR1
SCHEMBL9055109 0.87 TACR1 (0.79) CCR3TACR1
SCHEMBL18840894 0.86 CCR3 (1.00) CCR3TACR1

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