SCHEMBL7938462

SCHEMBL7938462

COc1ccccc1C(CNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C)CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.66
TACR1 P25103 7/20 0.62
MC4R P32245 2/20 0.52
GHSR Q92847 1/20 0.48

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
SCHEMBL7925817 0.93 TACR1 (0.62) CCR3TACR1
SCHEMBL7925820 0.91 TACR1 (0.59) CCR3TACR1
SCHEMBL7989743 0.88 CCR3 (0.57) CCR3TACR1
SCHEMBL7934923 0.88 CCR3 (0.76) CCR3TACR1
SCHEMBL7926239 0.87 TACR1 (0.59) CCR3TACR1
SCHEMBL7989699 0.87 TACR1 (0.64) CCR3TACR1
SCHEMBL7925949 0.87 CCR3 (0.61) CCR3TACR1
SCHEMBL7925950 0.87 CCR3 (0.77) CCR3TACR1
SCHEMBL7932773 0.87 CCR3 (0.77) CCR3TACR1
SCHEMBL7934695 0.87 TACR1 (0.58) 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 3 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