SCHEMBL689892

SCHEMBL689892

C[C@@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@]5(Cc6ccccc6)CCCN5C(=O)O)[nH]4)cc3)cc2)[nH]1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.36
SSTR3 P32745 6/20 0.35
OPRD1 P41143 3/20 0.35
HPGDS O60760 2/20 0.33
PRCP P42785 1/20 0.33
OPRM1 P35372 1/20 0.32

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1746812 0.85 HPGDS (0.33) SSTR3OPRD1HPGDS
SCHEMBL12158445 0.77 AAK1 (0.41) SSTR3OPRD1
SCHEMBL5025741 0.76 AAK1 (0.32)
SCHEMBL2579965 0.73 PRCP (0.50) OPRD1HPGDSPRCPOPRM1
SCHEMBL2957302 0.73 CYP3A4 (0.52) HPGDSPRCP
SCHEMBL15710882 0.72 AAK1 (0.39) SSTR3OPRD1
SCHEMBL1746987 0.72 PRCP (0.39) SSTR3HPGDSPRCP
SCHEMBL12158426 0.71 AAK1 (0.38) SSTR3OPRD1
SCHEMBL12107456 0.71 AAK1 (0.42) SSTR3OPRD1
SCHEMBL13180572 0.70 AAK1 (0.36) SSTR3OPRD1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049116-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP disclosed