SCHEMBL5592007 — predicted protein targets

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TACR1	P25103	6/20	0.51

▸	MCHR1	Q99705	2/20	0.40

▸	HTR1A	P08908	1/20	0.38

▸	DRD4	P21917	1/20	0.38

▸	HTR2A	P28223	1/20	0.38

▸	HRH1	P35367	1/20	0.38

▸	OPRM1	P35372	1/20	0.38

▸	USP2	O75604	1/20	0.38

▸	CYP3A4	P08684	1/20	0.38

▸	TSHR	P16473	1/20	0.38

▸	SMN1; SMN2	Q16637	1/20	0.38

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
SCHEMBL5592244	0.90	TACR1 (0.49)	TACR1MCHR1HTR1ADRD4HTR2A
SCHEMBL5591983	0.89	TACR1 (0.67)	TACR1
SCHEMBL5592010	0.85	TACR1 (0.64)	TACR1
SCHEMBL3599074	0.83	TACR1 (0.62)	TACR1
SCHEMBL3597281	0.82	TACR1 (0.57)	TACR1MCHR1
SCHEMBL5591958	0.81	TACR1 (0.46)	TACR1
SCHEMBL3597348	0.80	TACR1 (0.59)	TACR1
SCHEMBL3597398	0.80	TACR1 (0.59)	TACR1
SCHEMBL3591749	0.80	TACR1 (0.59)	TACR1
SCHEMBL3585726	0.80	TACR1 (0.62)	TACR1

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
WO-2007121389-A2	4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS	BRISTOL-MYERS SQUIBB COMPANY (US)	2007-10-25	—	—	WO	disclosed