Sugi Predict

Sugi Predict / Compounds / SCHEMBL30693199

SCHEMBL30693199

SCHEMBL30693199

COC(=O)N[C@H]1CC[C@H](C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(Br)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)CC1

nearest known ligand 0.90

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 17/20 0.90
▸ TACR3 P29371 14/20 0.90
▸ TACR2 P21452 11/20 0.90

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
SCHEMBL30693236 0.95 TACR1 (1.00) TACR1TACR3TACR2
SCHEMBL30693215 0.93 TACR3 (0.80) TACR1TACR3TACR2
SCHEMBL15397468 0.93 TACR1 (0.77) TACR1TACR3TACR2
SCHEMBL15397469 0.93 TACR1 (0.77) TACR1TACR3TACR2
SCHEMBL30693183 0.92 TACR1 (0.91) TACR1TACR3TACR2
SCHEMBL30693222 0.91 TACR1 (0.90) TACR1TACR3TACR2
SCHEMBL30693165 0.89 TACR1 (0.88) TACR1TACR3TACR2
SCHEMBL30693182 0.88 TACR1 (0.87) TACR1TACR3TACR2
SCHEMBL30693233 0.88 TACR1 (0.87) TACR1TACR3TACR2
SCHEMBL1968581 0.88 TACR1 (0.86) TACR1TACR3TACR2

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