SCHEMBL7932658

SCHEMBL7932658

CCCN1CCN(C(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2OC)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.56
CCR2 P41597 3/20 0.43
CCR3 P51677 3/20 0.43
MC4R P32245 1/20 0.41

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
SCHEMBL7925947 0.91 TACR1 (0.58) TACR1CCR2CCR3
SCHEMBL6479126 0.91 TACR1 (0.54) TACR1CCR2CCR3
SCHEMBL7938507 0.90 TACR1 (0.60) TACR1CCR2CCR3MC4R
SCHEMBL7925958 0.89 TACR1 (0.56) TACR1CCR2CCR3
SCHEMBL7936460 0.88 TACR1 (0.60) TACR1CCR2CCR3
SCHEMBL7938283 0.87 TACR1 (0.57) TACR1CCR2CCR3
SCHEMBL7935264 0.85 TACR1 (0.57) TACR1CCR2CCR3
SCHEMBL7936497 0.85 CCR3 (0.60) TACR1CCR2CCR3
SCHEMBL7926046 0.85 TACR1 (0.56) TACR1CCR2CCR3
SCHEMBL7934639 0.84 TACR1 (0.58) TACR1CCR2CCR3

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