SCHEMBL30693158

SCHEMBL30693158

CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 1.00
TACR2 P21452 19/20 1.00
TACR3 P29371 6/20 1.00
TAC3 Q9UHF0 6/20 0.71

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
SCHEMBL15463506 1.00 TACR1 (1.00) TACR1TACR2TACR3TAC3
SCHEMBL1972971 1.00 TACR1 (1.00) TACR1TACR2TACR3TAC3
SCHEMBL1972460 1.00 TACR1 (1.00) TACR1TACR2TACR3TAC3
SCHEMBL1972448 0.95 TACR1 (1.00) TACR1TACR2TACR3TAC3
SCHEMBL1971510 0.91 TACR2 (0.84) TACR1TACR2TACR3TAC3
SCHEMBL1968266 0.90 TACR1 (0.88) TACR1TACR2TACR3TAC3
SCHEMBL1967398 0.89 TACR1 (0.84) TACR1TACR2TACR3TAC3
SCHEMBL1974376 0.89 TACR2 (0.81) TACR1TACR2TACR3TAC3
SCHEMBL15397601 0.89 TACR1 (1.00) TACR1TACR2TACR3TAC3
SCHEMBL15397632 0.89 TACR1 (1.00) TACR1TACR2TACR3TAC3

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
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed