SCHEMBL7938403

SCHEMBL7938403

O=C(NCC(c1ccccc1)N1CCN(CCc2ccc(Cl)cc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 11/20 0.59
CYP2D6 P10635 1/20 0.50
TACR1 P25103 7/20 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
SCHEMBL7934769 0.94 CCR3 (0.56) CCR3TACR1
SCHEMBL7926185 0.92 CCR3 (0.59) CCR3CYP2D6TACR1
SCHEMBL7936483 0.89 CCR3 (0.62) CCR3CYP2D6TACR1
SCHEMBL7938443 0.83 CCR3 (0.72) CCR3TACR1
SCHEMBL7975422 0.82 CCR3 (0.55) CCR3CYP2D6TACR1
SCHEMBL7932645 0.81 CCR3 (0.56) CCR3TACR1
SCHEMBL7986617 0.81 CCR3 (0.71) CCR3TACR1
SCHEMBL7934845 0.79 CCR3 (0.70) CCR3
SCHEMBL7988909 0.79 FAAH (0.51) CCR3TACR1
SCHEMBL7985915 0.79 TACR1 (0.59) 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 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