SCHEMBL7934599

SCHEMBL7934599

Cc1cc(C)cc(CC(=O)NCC(c2ccc(Cl)c(Cl)c2)N2CCC(N3CCCCC3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 1.00
CCR3 P51677 1/20 0.56

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
SCHEMBL7938485 0.93 TACR1 (0.86) TACR1CCR3
SCHEMBL7926223 0.87 TACR1 (1.00) TACR1
SCHEMBL9054531 0.86 TACR1 (0.98) TACR1
SCHEMBL7989837 0.84 TACR1 (1.00) TACR1CCR3
SCHEMBL7989839 0.82 TACR1 (0.81) TACR1CCR3
SCHEMBL7932682 0.80 TACR1 (0.87) TACR1CCR3
SCHEMBL7934798 0.79 TACR1 (1.00) TACR1
SCHEMBL8784212 0.79 TACR1 (0.64) TACR1
SCHEMBL7938409 0.78 TACR1 (0.84) TACR1
SCHEMBL4911474 0.78 TACR1 (0.73) 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 6 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
US-5708006-A ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM KG (DE) 1998-01-13 US disclosed
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 WO disclosed