SCHEMBL6604792

COc1cc2c(cc1N1C[C@@H](C)N(C)[C@@H](C)C1)N(C(=O)Nc1cccc(C(F)(F)F)c1Cl)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	HTR1B	P28222	16/20	1.00

▸	HTR1D	P28221	15/20	1.00

▸	HTR1A	P08908	4/20	0.80

▸	HTR2A	P28223	4/20	0.58

▸	HTR2C	P28335	4/20	0.58

▸	HTR2B	P41595	2/20	0.58

▸	GHSR	Q92847	1/20	0.51

▸	CYP1A2	P05177	1/20	0.49

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
SCHEMBL6604787	1.00	HTR1B (1.00)	HTR1BHTR1DHTR1AHTR2AHTR2C
SCHEMBL6605000	0.92	HTR1D (0.86)	HTR1BHTR1DHTR1AHTR2AHTR2C
SCHEMBL6604995	0.92	HTR1D (0.86)	HTR1BHTR1DHTR1AHTR2AHTR2C
SCHEMBL6603250	0.91	HTR1D (1.00)	HTR1BHTR1DHTR1AHTR2AHTR2C
SCHEMBL6603248	0.91	HTR1D (1.00)	HTR1BHTR1DHTR1AHTR2AHTR2C
SCHEMBL6623514	0.89	HTR1D (0.81)	HTR1BHTR1DHTR1AHTR2AHTR2C
SCHEMBL6623510	0.89	HTR1D (0.81)	HTR1BHTR1DHTR1AHTR2AHTR2C
SCHEMBL6605824	0.89	HTR1B (1.00)	HTR1BHTR1DHTR1AHTR2AHTR2C
SCHEMBL6605819	0.89	HTR1B (1.00)	HTR1BHTR1DHTR1AHTR2AHTR2C
SCHEMBL6606501	0.86	HTR1B (0.79)	HTR1BHTR1DHTR1AHTR2AHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1216239-B1	PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS	SMITHKLINE BEECHAM PLC (GB)	2004-02-11	—	—	EP	claimed
EP-1216239-B1	PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS	SMITHKLINE BEECHAM PLC (GB)	2004-02-11	—	—	EP	disclosed