SCHEMBL7989839

SCHEMBL7989839

CCCOc1cccc(CC(=O)NCC(c2ccc(Cl)c(Cl)c2)N2CCC(N3CCCCC3)CC2)c1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.81
CCR3 P51677 1/20 0.49
MCHR1 Q99705 1/20 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
SCHEMBL7925934 0.94 TACR1 (0.72) TACR1CCR3
SCHEMBL7989837 0.90 TACR1 (1.00) TACR1CCR3MCHR1
SCHEMBL7989833 0.84 TACR1 (0.71) TACR1
SCHEMBL7925929 0.83 TACR1 (0.88) TACR1CCR3
SCHEMBL7934611 0.82 TACR1 (0.56) TACR1CCR3MCHR1
SCHEMBL7934599 0.82 TACR1 (1.00) TACR1CCR3
SCHEMBL7926223 0.78 TACR1 (1.00) TACR1
SCHEMBL7975474 0.78 TACR1 (0.81) TACR1CCR3
SCHEMBL9054531 0.77 TACR1 (0.98) TACR1
SCHEMBL7938485 0.75 TACR1 (0.86) TACR1CCR3

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