SCHEMBL7935293

SCHEMBL7935293

COc1ccccc1CNCC(c1ccccc1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 17/20 0.68
TACR1 P25103 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
Hydrochloric Acid SCHEMBL11504947 0.85 SLC6A2 (0.62) CCR3TACR1
Hydrochloric Acid SCHEMBL11505292 0.84 SLC6A2 (0.61) CCR3TACR1
SCHEMBL7936467 0.84 CCR3 (0.63) CCR3
SCHEMBL7934793 0.81 CCR3 (0.82) CCR3TACR1
SCHEMBL18840882 0.81 CCR3 (1.00) CCR3
SCHEMBL18840941 0.80 CCR3 (1.00) CCR3
SCHEMBL8672868 0.77 CCR3 (0.50) CCR3TACR1
SCHEMBL18840913 0.76 CCR3 (1.00) CCR3
SCHEMBL7934835 0.74 CCR3 (0.71) CCR3TACR1
SCHEMBL6478424 0.74 TACR1 (0.74) 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 5 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-6235732-B1 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; SKIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-05-22 US disclosed
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
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 WO disclosed