SCHEMBL7936497

SCHEMBL7936497

COc1ccccc1C(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 11/20 0.60
TACR1 P25103 7/20 0.57
CCR2 P41597 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7938507 0.89 TACR1 (0.60) CCR3TACR1CCR2
SCHEMBL7936460 0.89 TACR1 (0.60) CCR3TACR1CCR2
SCHEMBL7935264 0.88 TACR1 (0.57) CCR3TACR1CCR2
SCHEMBL7932622 0.88 TACR1 (0.54) CCR3TACR1CCR2
SCHEMBL7935457 0.88 TACR1 (0.54) CCR3TACR1CCR2SMN1; SMN2
SCHEMBL7926046 0.87 TACR1 (0.56) CCR3TACR1CCR2
SCHEMBL7925958 0.87 TACR1 (0.56) CCR3TACR1CCR2
SCHEMBL7936526 0.86 TACR1 (0.53) CCR3TACR1CCR2
SCHEMBL7926311 0.86 TACR1 (0.53) CCR3TACR1CCR2SMN1; SMN2
SCHEMBL6479126 0.86 TACR1 (0.54) 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 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
EP-0781277-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1997-07-02 EP disclosed
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 WO disclosed