SCHEMBL7926039

SCHEMBL7926039

COc1ccc(N2CCN(C(CNC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)CC2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 14/20 0.65
SLC1A2 P43004 1/20 0.49
CYP2D6 P10635 1/20 0.48
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 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
SCHEMBL7987289 0.88 CCR3 (0.79) CCR3SLC1A2CYP2D6TSHRLMNA
SCHEMBL7932368 0.87 CCR3 (0.73) CCR3SLC1A2
SCHEMBL7975434 0.87 CCR3 (0.72) CCR3SLC1A2CYP2D6
SCHEMBL7992865 0.83 CCR3 (0.56) CCR3
SCHEMBL7935026 0.83 CCR3 (0.58) CCR3TSHRHSD17B10LMNATP53
SCHEMBL7986617 0.82 CCR3 (0.71) CCR3
SCHEMBL7926212 0.82 CCR3 (0.54) CCR3CYP2D6
SCHEMBL7936483 0.82 CCR3 (0.62) CCR3SLC1A2CYP2D6
SCHEMBL7938443 0.81 CCR3 (0.72) CCR3SLC1A2
SCHEMBL7934845 0.81 CCR3 (0.70) CCR3

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 4 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