SCHEMBL7934776

SCHEMBL7934776

FC(F)(F)c1cc(CNCC(c2ccccc2)N2CCOCC2)cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.57
CCR2 P41597 2/20 0.53
CCR3 P51677 4/20 0.50
TACR3 P29371 1/20 0.47
SLC6A4 P31645 1/20 0.46

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
SCHEMBL7934653 0.87 CCR3 (0.60) TACR1CCR3
SCHEMBL7987228 0.86 CCR3 (0.67) TACR1CCR2CCR3
SCHEMBL7975478 0.85 CCR3 (0.61) TACR1CCR3
SCHEMBL16226687 0.84 TACR1 (0.52) TACR1CCR3SLC6A4
SCHEMBL7938476 0.84 CCR3 (0.64) TACR1CCR2CCR3
SCHEMBL7932641 0.82 CCR3 (0.57) TACR1CCR2CCR3
SCHEMBL7926034 0.81 TACR1 (0.48) TACR1CCR3
SCHEMBL7989186 0.81 CCR3 (0.49) TACR1CCR2CCR3
SCHEMBL7932696 0.81 CCR3 (0.50) TACR1CCR2CCR3SLC6A4
SCHEMBL7934835 0.81 CCR3 (0.71) 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