SCHEMBL30693196

CN(C(=O)N(C)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TACR1	P25103	16/20	0.43

▸	TACR2	P21452	11/20	0.43

▸	TACR3	P29371	4/20	0.43

▸	TAC3	Q9UHF0	1/20	0.41

▸	STS	P08842	2/20	0.39

▸	NOTCH1	P46531	1/20	0.35

▸	USP30	Q70CQ3	1/20	0.35

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.

Compound	similarity	top predicted	shared targets
SCHEMBL30693177	0.90	TACR1 (0.56)	TACR1TACR2TACR3TAC3
SCHEMBL2218821	0.90	TACR1 (0.56)	TACR1TACR2TACR3TAC3
SCHEMBL15397565	0.89	TACR1 (0.46)	TACR1TACR2TACR3TAC3
SCHEMBL15397566	0.89	TACR1 (0.46)	TACR1TACR2TACR3TAC3
SCHEMBL15397599	0.85	TACR1 (0.61)	TACR1TACR2TACR3TAC3
SCHEMBL15463460	0.85	TACR1 (0.61)	TACR1TACR2TACR3TAC3
SCHEMBL15397593	0.79	TACR2 (0.59)	TACR1TACR2TACR3TAC3
SCHEMBL1971047	0.78	TACR1 (0.61)	TACR1TACR2TACR3TAC3
SCHEMBL30693207	0.78	TACR1 (0.61)	TACR1TACR2TACR3TAC3
Hydrochloric Acid SCHEMBL1974344	0.78	TACR1 (0.45)	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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-RE49686-E1	Nitrogen-containing heterocyclic compound and use of same	TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP)	2023-10-10	—	—	US	disclosed