SCHEMBL1673299

SCHEMBL1673299

CC(NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)CN)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 2/20 0.39
NMT2 O60551 2/20 0.38
NMT1 P30419 2/20 0.38
MME P08473 2/20 0.36
OPRD1 P41143 7/20 0.36
OPRM1 P35372 6/20 0.36
PTGS1 P23219 1/20 0.35
GSTK1 Q9Y2Q3 1/20 0.35
OPRK1 P41145 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TERT O14746 1/20 0.33
GLO1 Q04760 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1673301 1.00 QRFPR (0.39) QRFPRNMT2NMT1MMEOPRD1
SCHEMBL30019123 0.96 NMT2 (0.38) QRFPRNMT2NMT1MMEOPRD1
SCHEMBL30280311 0.94 QRFPR (0.39) QRFPRNMT2NMT1MMEOPRD1
SCHEMBL29640406 0.93 OPRD1 (0.38) QRFPRNMT2NMT1MMEOPRD1
SCHEMBL29921636 0.93 NMT2 (0.42) QRFPRNMT2NMT1MMEOPRD1
SCHEMBL30892651 0.93 OPRD1 (0.38) QRFPRNMT2NMT1MMEOPRD1
SCHEMBL30835497 0.91 QRFPR (0.41) QRFPRNMT2NMT1MMEOPRD1
SCHEMBL29671504 0.91 NMT2 (0.40) QRFPRNMT2NMT1MMEOPRD1
SCHEMBL7746270 0.89 PTGS1 (0.39) QRFPRNMT2NMT1MMEOPRD1
SCHEMBL29938092 0.88 TGFBR1 (0.43) QRFPRNMT2NMT1MMEOPRD1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8663913-B2 Phage lambda display constructs HAYES SIDNEY (CA) 2014-03-04 US disclosed
US-20110092391-A1 PHAGE LAMBDA DISPLAY CONSTRUCTS HAYES SIDNEY 2011-04-21 US disclosed