SCHEMBL9054499

SCHEMBL9054499

CN(CC(c1cccc2c1OCO2)N1CCC(N2CCCCC2)CC1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.81

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
SCHEMBL9055174 0.89 TACR1 (1.00) TACR1
SCHEMBL9055084 0.85 TACR1 (0.92) TACR1
SCHEMBL9054423 0.84 TACR1 (0.80) TACR1
SCHEMBL9054135 0.83 TACR1 (1.00) TACR1
SCHEMBL9055608 0.82 TACR1 (0.77) TACR1
SCHEMBL7936465 0.80 TACR1 (1.00) TACR1
SCHEMBL9054677 0.79 TACR1 (1.00) TACR1
SCHEMBL9055864 0.79 TACR1 (0.84) TACR1
SCHEMBL9054944 0.78 TACR1 (1.00) TACR1
SCHEMBL9055353 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