SCHEMBL7932696

SCHEMBL7932696

Cc1cccc(C)c1N1CCN(C(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.50
TACR1 P25103 11/20 0.48
CCR2 P41597 1/20 0.44
SLC6A4 P31645 1/20 0.43

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
SCHEMBL7934653 0.86 CCR3 (0.60) CCR3TACR1
SCHEMBL7987228 0.85 CCR3 (0.67) CCR3TACR1CCR2
SCHEMBL7975478 0.84 CCR3 (0.61) CCR3TACR1
SCHEMBL7989186 0.82 CCR3 (0.49) CCR3TACR1CCR2
SCHEMBL7938476 0.82 CCR3 (0.64) CCR3TACR1CCR2
SCHEMBL7938479 0.82 CCR3 (0.61) CCR3TACR1
SCHEMBL7936518 0.82 CCR3 (0.60) CCR3TACR1
SCHEMBL7938519 0.82 CCR3 (0.48) CCR3TACR1
SCHEMBL7926197 0.81 CCR3 (0.67) CCR3TACR1
SCHEMBL7926217 0.81 CCR3 (0.48) CCR3TACR1CCR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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