SCHEMBL7993636

SCHEMBL7993636

O=C(NCC(c1cccc2ccccc12)N1CCN(C2CCCCC2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.77
CCR3 P51677 16/20 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
SCHEMBL7932773 0.87 CCR3 (0.77) TACR1CCR3
SCHEMBL7925950 0.87 CCR3 (0.77) TACR1CCR3
SCHEMBL7935503 0.87 CCR3 (0.66) TACR1CCR3
SCHEMBL7936449 0.87 TACR1 (1.00) TACR1
SCHEMBL7938286 0.86 CCR3 (0.84) TACR1CCR3
SCHEMBL7934923 0.86 CCR3 (0.76) TACR1CCR3
SCHEMBL7934778 0.85 CCR3 (0.75) TACR1CCR3
SCHEMBL7986923 0.84 CCR3 (0.69) TACR1CCR3
SCHEMBL7989454 0.80 TACR1 (0.77) TACR1CCR3
SCHEMBL9055378 0.80 TACR1 (1.00) 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 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