SCHEMBL17225970

SCHEMBL17225970

CCCCCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 4/20 0.54
▸ KLKB1 P03952 1/20 0.53
▸ CHRNB2 P17787 1/20 0.52
▸ CHRNB4 P30926 1/20 0.52
▸ CHRNA3 P32297 1/20 0.52
▸ CHRNA4 P43681 1/20 0.52
▸ KISS1R Q969F8 1/20 0.52
▸ OPRM1 P35372 2/20 0.50
▸ OPRD1 P41143 2/20 0.50
▸ OPRK1 P41145 2/20 0.50
▸ CTSB P07858 1/20 0.50
▸ PTPN1 P18031 2/20 0.49
▸ MMP3 P08254 2/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ CHRNA1 P02708 1/20 0.48
▸ CHRNG P07510 1/20 0.48
▸ CHRNB1 P11230 1/20 0.48
▸ CHRND Q07001 1/20 0.48
▸ GRIA1 P42261 1/20 0.48
▸ CTSD P07339 1/20 0.47

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
SCHEMBL18059009 0.93 OPRM1 (0.51) PSMB5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15145443 0.88 OPRM1 (0.57) PSMB5OPRM1OPRD1OPRK1CTSB
SCHEMBL16485401 0.88 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL23380746 0.87 OPRM1 (0.47) PSMB5KLKB1CHRNB2CHRNB4CHRNA3
SCHEMBL10545669 0.86 CHRNB2 (0.67) KLKB1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8983313 0.85 CTSB (0.62) OPRM1OPRD1OPRK1CTSBMMP9
SCHEMBL12139728 0.85 OPRM1 (0.53) PSMB5OPRM1OPRD1OPRK1CTSB
SCHEMBL8983297 0.85 CTSB (0.62) OPRM1OPRD1OPRK1CTSBMMP9
SCHEMBL342804 0.85 REN (0.52) PSMB5OPRM1OPRD1OPRK1CTSB
SCHEMBL29727782 0.85 REN (0.52) PSMB5OPRM1OPRD1OPRK1CTSB

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
US-9173956-B2 METAP2 inhibitors and methods of treating obesity SYNDEVRX, INC. (US) 2015-11-03 — — US disclosed
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