SCHEMBL9054802

SCHEMBL9054802

O=C(NCC(c1ccccc1)N1CCC(N2CCCCC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.77
CCR3 P51677 2/20 0.59

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
SCHEMBL7936466 0.87 TACR1 (0.78) TACR1CCR3
SCHEMBL9055256 0.87 TACR1 (1.00) TACR1
SCHEMBL7934647 0.86 TACR1 (0.79) TACR1
SCHEMBL9055608 0.83 TACR1 (0.77) TACR1
SCHEMBL9054423 0.81 TACR1 (0.80) TACR1
SCHEMBL7932708 0.79 TACR1 (0.86) TACR1CCR3
SCHEMBL7938286 0.79 CCR3 (0.84) TACR1CCR3
SCHEMBL7935286 0.79 TACR1 (0.85) TACR1
SCHEMBL7935432 0.78 TACR1 (1.00) TACR1
SCHEMBL7925945 0.78 TACR1 (0.79) 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 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