SCHEMBL7925931

SCHEMBL7925931

COc1ccccc1C(CNC(=O)Cc1ccccc1)N1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.78
CCR3 P51677 2/20 0.64

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
SCHEMBL7934781 0.88 TACR1 (1.00) TACR1CCR3
SCHEMBL7934770 0.87 TACR1 (1.00) TACR1
SCHEMBL7932765 0.82 CCR3 (0.70) TACR1CCR3
SCHEMBL7936410 0.81 TACR1 (1.00) TACR1CCR3
SCHEMBL7934798 0.81 TACR1 (1.00) TACR1
SCHEMBL7975729 0.81 TACR1 (1.00) TACR1CCR3
SCHEMBL7935238 0.80 TACR1 (1.00) TACR1
SCHEMBL7938483 0.80 GAA (0.76) TACR1CCR3
SCHEMBL7989823 0.79 TACR1 (0.88) TACR1
SCHEMBL18375466 0.79 OPRM1 (0.54) 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 8 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
EP-0781277-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1997-07-02 EP disclosed
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 WO disclosed