SCHEMBL5157987

CC(CCc1ccccc1)NC(=O)CCC(=O)NC1CCC(c2cccs2)(N(C)C)CC1.CCN(Cc1ccccc1)C(=O)CCC(=O)NC1CCC(c2cccs2)(N(C)C)CC1.CN(C)C1(c2cccs2)CCC(NC(=O)CCC(=O)NCCc2c(Cl)cccc2Cl)CC1.CN(C)C1(c2cccs2)CCC(NC(=O)CCC(=O)NCCc2ccc(Br)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	3/20	0.35

▸	OPRL1	P41146	3/20	0.35

▸	ALDH1A1	P00352	3/20	0.35

▸	HTT	P42858	1/20	0.35

▸	KMT2A	Q03164	5/20	0.34

▸	MEN1	O00255	3/20	0.34

▸	POLB	P06746	1/20	0.33

▸	HSP90AA1	P07900	1/20	0.33

▸	HPGD	P15428	1/20	0.33

▸	CCR5	P51681	1/20	0.32

▸	TSHR	P16473	1/20	0.31

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
SCHEMBL204689	0.79	POLB (0.51)	OPRM1OPRL1ALDH1A1HTTKMT2A
SCHEMBL206106	0.79	OPRM1 (0.49)	OPRM1OPRL1ALDH1A1KMT2AMEN1
SCHEMBL206686	0.79	KMT2A (0.42)	OPRM1OPRL1ALDH1A1HTTKMT2A
SCHEMBL207653	0.79	OPRM1 (0.43)	OPRM1OPRL1POLBHPGD
SCHEMBL206898	0.73	OPRM1 (0.60)	OPRM1OPRL1TSHR
SCHEMBL207133	0.72	ALDH1A1 (0.50)	OPRM1OPRL1ALDH1A1HTTKMT2A
SCHEMBL207464	0.71	EPHX2 (0.45)	OPRM1OPRL1HPGD
SCHEMBL206534	0.69	HPGD (0.44)	OPRM1OPRL1ALDH1A1KMT2APOLB
SCHEMBL250561	0.69	HDAC3 (0.39)	OPRM1OPRL1KMT2AMEN1POLB
SCHEMBL250531	0.69	OPRM1 (0.46)	OPRM1OPRL1POLBHPGD

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-1745010-A1	SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES	Grünenthal GmbH (DE)	2007-01-24	—	—	EP	disclosed
WO-2005110974-A1	SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES	Grünenthal GmbH (DE)	2005-11-24	—	—	WO	disclosed