SCHEMBL9055347

SCHEMBL9055347

CN(CC(c1ccc(F)cc1)N1CCC(N2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.85

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
SCHEMBL9056208 0.92 TACR1 (1.00) TACR1
SCHEMBL9055128 0.91 TACR1 (0.86) TACR1
SCHEMBL9054317 0.91 TACR1 (0.84) TACR1
SCHEMBL9056687 0.90 TACR1 (0.84) TACR1
SCHEMBL7925842 0.89 TACR1 (1.00) TACR1
SCHEMBL9056429 0.88 TACR1 (0.78) TACR1
SCHEMBL9056375 0.88 TACR1 (0.78) TACR1
SCHEMBL9055339 0.88 TACR1 (1.00) TACR1
SCHEMBL9054430 0.88 TACR1 (0.98) TACR1
SCHEMBL9054614 0.88 TACR1 (0.79) 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