SCHEMBL7938489

SCHEMBL7938489

COc1ccc(CCN2CCN(C(CNCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.59
TACR1 P25103 7/20 0.51
CYP2D6 P10635 1/20 0.48
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL7932641 0.91 CCR3 (0.57) CCR3TACR1SIGMAR1
SCHEMBL7975422 0.88 CCR3 (0.55) CCR3TACR1CYP2D6
SCHEMBL7926197 0.86 CCR3 (0.67) CCR3TACR1
SCHEMBL6479126 0.84 TACR1 (0.54) CCR3TACR1SIGMAR1
SCHEMBL7936518 0.83 CCR3 (0.60) CCR3TACR1
SCHEMBL7936483 0.83 CCR3 (0.62) CCR3TACR1CYP2D6
SCHEMBL7987228 0.82 CCR3 (0.67) CCR3TACR1
SCHEMBL7938479 0.81 CCR3 (0.61) CCR3TACR1
SCHEMBL7926212 0.81 CCR3 (0.54) CCR3TACR1CYP2D6
SCHEMBL16226687 0.80 TACR1 (0.52) 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