SCHEMBL7934682

SCHEMBL7934682

COc1ccccc1C(CNCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.68
CCR3 P51677 10/20 0.59

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
SCHEMBL7926005 0.90 CCR3 (0.76) TACR1CCR3
SCHEMBL7932594 0.90 CCR3 (0.76) TACR1CCR3
SCHEMBL7932712 0.86 CCR3 (0.62) TACR1CCR3
SCHEMBL9055871 0.82 TACR1 (0.74) TACR1CCR3
SCHEMBL7934814 0.81 TACR1 (0.60) TACR1CCR3
SCHEMBL7938507 0.81 TACR1 (0.60) TACR1CCR3
SCHEMBL7936460 0.81 TACR1 (0.60) TACR1CCR3
SCHEMBL7934770 0.81 TACR1 (1.00) TACR1
SCHEMBL7986183 0.80 TACR1 (0.74) TACR1CCR3
SCHEMBL6478424 0.80 TACR1 (0.74) 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 7 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
US-5708006-A ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM KG (DE) 1998-01-13 US disclosed
US-5696123-A ALPHA-PIPERAZINYL BENZYL COMPOUND AS TACHYKININ ANTAGONIST TREATING ASTHMA, BRONCHITIS, SKIN DISORDER, EYE DISEASE, HEADACHE, GASTROINTESTINAL DISORDER BOEHRINGER INGELHEIM KG (DE) 1997-12-09 US disclosed
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 WO disclosed