SCHEMBL16239986

SCHEMBL16239986

CN(C(=O)Oc1ccc(F)cc1)C1(C)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)CC1c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 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
SCHEMBL10277547 1.00 TACR3 (1.00) TACR3
SCHEMBL10277541 0.91 TACR3 (1.00) TACR3
SCHEMBL10277234 0.90 TACR3 (1.00) TACR3
SCHEMBL16239682 0.86 TACR3 (0.75) TACR3
SCHEMBL12500538 0.85 TACR3 (1.00) TACR3
SCHEMBL10277309 0.85 TACR3 (1.00) TACR3
SCHEMBL10277226 0.84 TACR3 (1.00) TACR3
SCHEMBL10277404 0.84 TACR3 (1.00) TACR3
SCHEMBL10277565 0.84 TACR3 (1.00) TACR3
SCHEMBL10277440 0.84 TACR3 (1.00) TACR3

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
EP-2661432-B1 PYRROLIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-11-19 EP claimed