SCHEMBL7987536

SCHEMBL7987536

FC(F)(F)c1cc(CCNCC(c2ccc3c(c2)OCO3)N2CCC(N3CCCCC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.65
CCR3 P51677 11/20 0.58

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
SCHEMBL7936441 0.86 TACR1 (0.71) TACR1CCR3
SCHEMBL7925907 0.85 TACR1 (0.74) TACR1CCR3
SCHEMBL7932715 0.84 TACR1 (0.91) TACR1
SCHEMBL7936470 0.78 CCR3 (0.84) TACR1CCR3
SCHEMBL7926027 0.76 TACR1 (0.73) TACR1CCR3
SCHEMBL18840877 0.73 CCR3 (1.00) CCR3
SCHEMBL9055339 0.73 TACR1 (1.00) TACR1
SCHEMBL18840937 0.73 CCR3 (1.00) CCR3
SCHEMBL9054572 0.71 TACR1 (0.66) TACR1
SCHEMBL18840898 0.71 CCR3 (1.00) CCR3

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 6 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
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