SCHEMBL8669602

SCHEMBL8669602

FC(F)(F)c1cc(C[CH]C(c2ccc3ccccc3c2)N2CCN(C3CCCCC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.48
CCR3 P51677 11/20 0.46
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL8674728 0.89 TACR1 (0.56) TACR1CCR3HRH3
SCHEMBL8670965 0.87 TACR1 (0.48) TACR1CCR3
SCHEMBL8675023 0.86 CCR3 (0.52) TACR1CCR3HRH3
SCHEMBL8675028 0.85 TACR1 (0.51) TACR1CCR3
SCHEMBL8673196 0.85 CCR3 (0.53) TACR1CCR3
SCHEMBL8673445 0.85 CCR3 (0.50) TACR1CCR3
SCHEMBL8672793 0.85 CCR3 (0.55) TACR1CCR3
SCHEMBL8671013 0.84 TACR1 (0.54) TACR1CCR3
SCHEMBL8669206 0.80 TACR1 (0.45) TACR1CCR3
SCHEMBL8673223 0.80 TACR1 (0.61) TACR1CCR3

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-5708006-A ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM KG (DE) 1998-01-13 US disclosed
US-5696123-A ALPHA-PIPERAZINYL BENZYL COMPOUND AS TACHYKININ ANTAGONIST TREATING ASTHMA, BRONCHITIS, SKIN DISORDER, EYE DISEASE, HEADACHE, GASTROINTESTINAL DISORDER BOEHRINGER INGELHEIM KG (DE) 1997-12-09 US disclosed