SCHEMBL7975474

SCHEMBL7975474

CCCOc1cccc(CC(=O)NCC(c2ccccc2OC)N2CCN(C3CCCCC3)CC2)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.81
CCR3 P51677 5/20 0.59

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
SCHEMBL7989833 0.94 TACR1 (0.71) TACR1
SCHEMBL7926232 0.90 TACR1 (1.00) TACR1CCR3
SCHEMBL7934781 0.87 TACR1 (1.00) TACR1CCR3
SCHEMBL7936410 0.84 TACR1 (1.00) TACR1CCR3
SCHEMBL7925934 0.84 TACR1 (0.72) TACR1CCR3
SCHEMBL7932634 0.83 TACR1 (1.00) TACR1CCR3
SCHEMBL7989823 0.83 TACR1 (0.88) TACR1
SCHEMBL7992806 0.83 TACR1 (1.00) TACR1CCR3
SCHEMBL7975729 0.82 TACR1 (1.00) TACR1CCR3
SCHEMBL7936446 0.81 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