SCHEMBL9055378

SCHEMBL9055378

O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC(c1cccc2ccccc12)N1CCC(N2CCCCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 1.00

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
SCHEMBL7936449 0.93 TACR1 (1.00) TACR1
SCHEMBL7925954 0.89 TACR1 (0.84) TACR1
SCHEMBL7989341 0.87 TACR1 (0.86) TACR1
SCHEMBL9056368 0.87 TACR1 (0.80) TACR1
SCHEMBL7935238 0.87 TACR1 (1.00) TACR1
SCHEMBL9055256 0.86 TACR1 (1.00) TACR1
SCHEMBL9055163 0.84 TACR1 (1.00) TACR1
SCHEMBL7936465 0.84 TACR1 (1.00) TACR1
SCHEMBL7936404 0.84 TACR1 (0.77) TACR1
SCHEMBL9055296 0.84 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