SCHEMBL7992865

SCHEMBL7992865

O=C(NCC(c1ccccc1)N1CCN(c2ccccc2O)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 17/20 0.56
TACR1 P25103 3/20 0.47

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
SCHEMBL7935026 0.91 CCR3 (0.58) CCR3
SCHEMBL7986617 0.88 CCR3 (0.71) CCR3TACR1
SCHEMBL7934845 0.87 CCR3 (0.70) CCR3
SCHEMBL7938443 0.85 CCR3 (0.72) CCR3TACR1
SCHEMBL7936440 0.85 CCR3 (0.75) CCR3
SCHEMBL7935044 0.84 CCR3 (0.57) CCR3
SCHEMBL7926039 0.83 CCR3 (0.65) CCR3
SCHEMBL7975434 0.83 CCR3 (0.72) CCR3
SCHEMBL7987289 0.82 CCR3 (0.79) CCR3
SCHEMBL7935328 0.81 CCR3 (0.58) 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 3 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