SCHEMBL7989699

SCHEMBL7989699

COc1ccccc1C(CNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C2CCCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.64
CCR3 P51677 10/20 0.63

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 0.91 CCR3 (0.77) TACR1CCR3
SCHEMBL7925950 0.91 CCR3 (0.77) TACR1CCR3
SCHEMBL7989454 0.91 TACR1 (0.77) TACR1CCR3
SCHEMBL7934923 0.90 CCR3 (0.76) TACR1CCR3
SCHEMBL7926239 0.90 TACR1 (0.59) TACR1CCR3
SCHEMBL7925949 0.89 CCR3 (0.61) TACR1CCR3
SCHEMBL7934778 0.89 CCR3 (0.75) TACR1CCR3
SCHEMBL7934695 0.89 TACR1 (0.58) TACR1CCR3
SCHEMBL7925817 0.87 TACR1 (0.62) TACR1CCR3
SCHEMBL7938462 0.87 CCR3 (0.66) TACR1CCR3

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