SCHEMBL8488113

CC(NC(=O)[C@H](C(C)c1c[nH]c2ccccc12)N(Cc1ccccc1)C(=O)O)c1ccccc1.CC(NC(=O)[C@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MMP9	P14780	2/20	0.51

▸	MMP8	P22894	2/20	0.51

▸	MMP2	P08253	1/20	0.46

▸	TACR1	P25103	3/20	0.44

▸	ITGB2	P05107	1/20	0.41

▸	ICAM1	P05362	1/20	0.41

▸	ITGAL	P20701	1/20	0.41

▸	ECE1	P42892	5/20	0.41

▸	NMBR	P28336	2/20	0.40

▸	MEN1	O00255	1/20	0.40

▸	KMT2A	Q03164	1/20	0.40

▸	TGM2	P21980	1/20	0.40

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
SCHEMBL8198380	0.84	MMP9 (0.63)	MMP9MMP8MMP2TACR1ITGB2
SCHEMBL8198377	0.84	MMP9 (0.63)	MMP9MMP8MMP2TACR1ITGB2
SCHEMBL8201151	0.77	MMP9 (0.80)	MMP9MMP8MMP2TACR1ECE1
SCHEMBL8201153	0.77	MMP9 (0.80)	MMP9MMP8MMP2TACR1ECE1
SCHEMBL8850370	0.77	MMP9 (0.80)	MMP9MMP8MMP2TACR1ECE1
SCHEMBL1388706	0.74	MMP9 (0.60)	MMP9MMP8MMP2TACR1ECE1
SCHEMBL8201111	0.71	MMP9 (0.53)	MMP9MMP8MMP2ECE1MEN1
SCHEMBL8487186	0.70	HTR2A (0.50)	MMP9MMP8MMP2TACR1ITGB2
SCHEMBL8481429	0.69	MMP9 (0.76)	MMP9MMP8MMP2TACR1ECE1
SCHEMBL21292855	0.68	HTR2A (0.61)	—

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-5981755-A	Tachykinin antagonists	WARNER-LAMBERT COMPANY (US)	1999-11-09	—	—	US	disclosed