SCHEMBL7986893

SCHEMBL7986893

FC(F)(F)c1cc(CNCC(c2ccc(Cl)c(Cl)c2)N2CCN(C3CCCCC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.63
CCR3 P51677 15/20 0.61

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
SCHEMBL7926027 0.93 TACR1 (0.73) TACR1CCR3
SCHEMBL7934688 0.90 CCR3 (0.68) TACR1CCR3
SCHEMBL7925985 0.88 CCR3 (0.61) TACR1CCR3
SCHEMBL7926011 0.87 CCR3 (0.72) CCR3
SCHEMBL7934835 0.86 CCR3 (0.71) TACR1CCR3
SCHEMBL7938452 0.86 CCR3 (0.60) TACR1CCR3
SCHEMBL7932611 0.86 CCR3 (0.54) TACR1CCR3
SCHEMBL7932682 0.85 TACR1 (0.87) TACR1CCR3
SCHEMBL7938491 0.84 CCR3 (0.73) CCR3
SCHEMBL9054572 0.83 TACR1 (0.66) TACR1

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 2 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