SCHEMBL7986923

SCHEMBL7986923

O=C(NCC(c1c(Cl)cccc1Cl)N1CCN(C2CCCCC2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 17/20 0.69
MCHR1 Q99705 1/20 0.55
TACR1 P25103 2/20 0.54

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
SCHEMBL7938414 0.93 MCHR1 (0.61) CCR3MCHR1TACR1
SCHEMBL7935503 0.91 CCR3 (0.66) CCR3TACR1
SCHEMBL7932661 0.87 CCR3 (0.75) CCR3MCHR1TACR1
SCHEMBL7938286 0.86 CCR3 (0.84) CCR3TACR1
SCHEMBL7935308 0.86 TACR1 (0.72) CCR3TACR1
SCHEMBL7925950 0.84 CCR3 (0.77) CCR3TACR1
SCHEMBL7993636 0.84 TACR1 (0.77) CCR3TACR1
SCHEMBL7932773 0.84 CCR3 (0.77) CCR3TACR1
SCHEMBL7934923 0.83 CCR3 (0.76) CCR3TACR1
SCHEMBL7934778 0.82 CCR3 (0.75) 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 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