SCHEMBL6820669

SCHEMBL6820669

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.34
OPRL1 P41146 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 1/20 0.33
PIN1 Q13526 1/20 0.33
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
GAA P10253 2/20 0.32
BCHE P06276 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL6817272 0.91 OPRM1 (0.34) OPRM1OPRL1NPC1RAB9ASMN1; SMN2
SCHEMBL6823713 0.77 LMNA (0.39) ALDH1A1POLBMAPTTP53GAA
SCHEMBL6817250 0.74 SMN1; SMN2 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6821070 0.73 APOL1 (0.36) OPRM1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL5963561 0.67 SLC6A2 (0.33) OPRM1SMN1; SMN2RXFP1CTSLCTSB
SCHEMBL5963859 0.65 SLC6A2 (0.33) OPRM1SMN1; SMN2RXFP1GAASIGMAR1
SCHEMBL5963964 0.64 LMNA (0.31) OPRM1OPRL1RXFP1CTSLCTSB
SCHEMBL5964017 0.62 GRIN1 (0.36) OPRM1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14067363 0.59 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1GAALMNAHTT
SCHEMBL5963885 0.57 MTNR1A (0.38) OPRM1OPRL1NPC1RAB9ASMN1; SMN2

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