SCHEMBL7926034

SCHEMBL7926034

C=CCN1CCN(C(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.48
CCR3 P51677 3/20 0.48
OPRD1 P41143 1/20 0.44

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
SCHEMBL16226687 0.86 TACR1 (0.52) TACR1CCR3
SCHEMBL7932641 0.84 CCR3 (0.57) TACR1CCR3
SCHEMBL7987228 0.84 CCR3 (0.67) TACR1CCR3
SCHEMBL7934653 0.83 CCR3 (0.60) TACR1CCR3
SCHEMBL7925814 0.82 CCR3 (0.50) TACR1CCR3
SCHEMBL7934776 0.81 TACR1 (0.57) TACR1CCR3
SCHEMBL7975478 0.81 CCR3 (0.61) TACR1CCR3
SCHEMBL7975422 0.80 CCR3 (0.55) TACR1CCR3
SCHEMBL7932645 0.79 CCR3 (0.56) TACR1CCR3
SCHEMBL7989186 0.79 CCR3 (0.49) 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 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