SCHEMBL7938465

SCHEMBL7938465

COc1cc(C(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCN(C3CCCCC3)CC2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 16/20 0.56
TACR1 P25103 4/20 0.55

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
SCHEMBL7925985 0.88 CCR3 (0.61) CCR3TACR1
SCHEMBL7938491 0.86 CCR3 (0.73) CCR3
SCHEMBL7986183 0.85 TACR1 (0.74) CCR3TACR1
SCHEMBL6478424 0.85 TACR1 (0.74) CCR3TACR1
SCHEMBL7934839 0.84 TACR1 (0.73) CCR3TACR1
SCHEMBL7926175 0.84 TACR1 (0.72) CCR3TACR1
SCHEMBL7935246 0.84 TACR1 (0.65) CCR3TACR1
SCHEMBL7926011 0.83 CCR3 (0.72) CCR3
SCHEMBL7934835 0.83 CCR3 (0.71) CCR3TACR1
SCHEMBL7934688 0.81 CCR3 (0.68) CCR3TACR1

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 5 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
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 WO disclosed