SCHEMBL7987289

SCHEMBL7987289

COc1ccc(N2CCN(C(CNC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 12/20 0.79
SLC1A2 P43004 1/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP2D6 P10635 1/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7975434 0.94 CCR3 (0.72) CCR3SLC1A2CYP2D6THRB
SCHEMBL7932368 0.92 CCR3 (0.73) CCR3SLC1A2THRB
SCHEMBL7934845 0.91 CCR3 (0.70) CCR3
SCHEMBL7986617 0.91 CCR3 (0.71) CCR3
SCHEMBL7936440 0.89 CCR3 (0.75) CCR3ALDH1A1GAATSHRLMNA
SCHEMBL18840917 0.89 CCR3 (1.00) CCR3SLC1A2
SCHEMBL7926039 0.88 CCR3 (0.65) CCR3SLC1A2TSHRCYP2D6LMNA
SCHEMBL7936483 0.86 CCR3 (0.62) CCR3SLC1A2CYP2D6
SCHEMBL7935328 0.85 CCR3 (0.58) CCR3NPSR1LMNAMAPT
SCHEMBL7938443 0.84 CCR3 (0.72) CCR3SLC1A2

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-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