SCHEMBL6821055

SCHEMBL6821055

[CH2]C1=C(c2ccccc2)S(=O)(=O)N(C(=O)NCC)C12CCCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRL1 P41146 1/20 0.33
MAPT P10636 3/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 2/20 0.33
BCHE P06276 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIN1 Q13526 1/20 0.32
LMNA P02545 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
SCHEMBL6817250 0.90 SMN1; SMN2 (0.38) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL6821070 0.89 APOL1 (0.36) OPRM1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL6817272 0.84 OPRM1 (0.34) RXFP1OPRM1OPRL1MAPTCTSL
SCHEMBL6820669 0.84 OPRM1 (0.34) RXFP1OPRM1OPRL1MAPTCTSL
SCHEMBL5963561 0.68 SLC6A2 (0.33) RXFP1OPRM1CTSLCTSBCTSS
SCHEMBL5963859 0.66 SLC6A2 (0.33) RXFP1OPRM1GAASIGMAR1SMN1; SMN2
SCHEMBL5963964 0.66 LMNA (0.31) RXFP1OPRM1OPRL1CTSLCTSB
SCHEMBL5964017 0.64 GRIN1 (0.36) OPRM1MAPTSIGMAR1RAB9ANPC1
SCHEMBL14067363 0.60 SMN1; SMN2 (0.68) GAASMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL5963885 0.58 MTNR1A (0.38) RXFP1OPRM1OPRL1MAPTCTSL

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-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 EP claimed