Sugi Predict

Sugi Predict / Compounds / SCHEMBL30693228

SCHEMBL30693228

SCHEMBL30693228

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

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 17/20 0.80
▸ TACR2 P21452 10/20 0.80
▸ TACR1 P25103 10/20 0.80

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
SCHEMBL30693222 0.93 TACR1 (0.90) TACR3TACR2TACR1
SCHEMBL15397672 0.92 TACR3 (0.74) TACR3TACR2TACR1
SCHEMBL15397671 0.92 TACR3 (0.74) TACR3TACR2TACR1
SCHEMBL30693215 0.90 TACR3 (0.80) TACR3TACR2TACR1
SCHEMBL30693236 0.89 TACR1 (1.00) TACR3TACR2TACR1
SCHEMBL30693183 0.86 TACR1 (0.91) TACR3TACR2TACR1
SCHEMBL30693199 0.85 TACR1 (0.90) TACR3TACR2TACR1
SCHEMBL15397607 0.85 TACR3 (0.77) TACR3TACR2TACR1
SCHEMBL15397606 0.85 TACR3 (0.77) TACR3TACR2TACR1
SCHEMBL1971655 0.85 TACR3 (0.77) TACR3TACR2TACR1

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