SCHEMBL7985915

SCHEMBL7985915

O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC(c1ccccc1)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.59
CCR3 P51677 2/20 0.49
TACR3 P29371 1/20 0.49

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
SCHEMBL7934634 0.83 TACR1 (0.69) TACR1CCR3
SCHEMBL7925922 0.83 TACR1 (0.68) TACR1CCR3
SCHEMBL7932725 0.81 TACR1 (0.65) TACR1CCR3
SCHEMBL7938403 0.79 CCR3 (0.59) TACR1CCR3
SCHEMBL7934769 0.77 CCR3 (0.56) TACR1CCR3
SCHEMBL7932708 0.76 TACR1 (0.86) TACR1CCR3
SCHEMBL7975422 0.76 CCR3 (0.55) TACR1CCR3
SCHEMBL7932682 0.75 TACR1 (0.87) TACR1CCR3
SCHEMBL9055256 0.74 TACR1 (1.00) TACR1
SCHEMBL9054531 0.74 TACR1 (0.98) TACR1

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 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