SCHEMBL30693236

SCHEMBL30693236

COC(=O)N[C@H]1CC[C@@H](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(F)cc3)C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 1.00
TACR2 P21452 12/20 1.00
TACR3 P29371 12/20 1.00
TAC3 Q9UHF0 1/20 0.40

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
SCHEMBL30693183 0.95 TACR1 (0.91) TACR1TACR2TACR3
SCHEMBL30693199 0.95 TACR1 (0.90) TACR1TACR2TACR3
SCHEMBL30693222 0.95 TACR1 (0.90) TACR1TACR2TACR3
SCHEMBL30693165 0.94 TACR1 (0.88) TACR1TACR2TACR3
SCHEMBL30693182 0.93 TACR1 (0.87) TACR1TACR2TACR3
SCHEMBL30693233 0.93 TACR1 (0.87) TACR1TACR2TACR3
SCHEMBL1968578 0.93 TACR1 (0.86) TACR1TACR2TACR3TAC3
SCHEMBL1968581 0.93 TACR1 (0.86) TACR1TACR2TACR3TAC3
SCHEMBL30693213 0.92 TACR1 (0.86) TACR1TACR2TACR3
SCHEMBL30693144 0.92 TACR1 (0.85) 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