SCHEMBL9055871

SCHEMBL9055871

COc1ccccc1C(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.74
CCR3 P51677 1/20 0.54

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
SCHEMBL7926175 0.93 TACR1 (0.72) TACR1CCR3
SCHEMBL7986183 0.93 TACR1 (0.74) TACR1CCR3
SCHEMBL6478424 0.93 TACR1 (0.74) TACR1CCR3
SCHEMBL7934839 0.92 TACR1 (0.73) TACR1CCR3
SCHEMBL7936505 0.90 TACR1 (0.61) TACR1CCR3
SCHEMBL7934814 0.89 TACR1 (0.60) TACR1CCR3
SCHEMBL7934639 0.88 TACR1 (0.58) TACR1CCR3
SCHEMBL7926326 0.87 TACR1 (0.58) TACR1CCR3
SCHEMBL7934948 0.87 TACR1 (0.59) TACR1CCR3
SCHEMBL7926356 0.86 CCR2 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 WO disclosed