SCHEMBL9054577

SCHEMBL9054577

CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(c1ccc(Cl)c(Cl)c1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.74
TACR2 P21452 1/20 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
SCHEMBL7987493 0.91 TACR1 (0.77) TACR1
SCHEMBL7925842 0.85 TACR1 (1.00) TACR1
SCHEMBL9054430 0.84 TACR1 (0.98) TACR1
SCHEMBL7935261 0.83 TACR1 (0.79) TACR1
SCHEMBL9054517 0.82 TACR1 (0.72) TACR1
SCHEMBL7926027 0.81 TACR1 (0.73) TACR1
SCHEMBL7936441 0.80 TACR1 (0.71) TACR1
SCHEMBL9054572 0.80 TACR1 (0.66) TACR1TACR2
SCHEMBL7936444 0.79 TACR1 (0.67) TACR1
SCHEMBL7926223 0.78 TACR1 (1.00) 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