SCHEMBL8659458

SCHEMBL8659458

CCCN1CCN(CCCCC2C(N3CCN(CCCC(=O)OC)CC3)OC(=O)N2C)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX2 P34913 1/20 0.32
HRH2 P25021 2/20 0.32
HRH1 P35367 2/20 0.32
OPRL1 P41146 1/20 0.31
GLA P06280 1/20 0.30
PAOX Q6QHF9 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KAT2B Q92831 1/20 0.30
HTR4 Q13639 3/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2B P18089 1/20 0.30
HTR1D P28221 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2B P41595 1/20 0.30
HTR3A P46098 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
GRM2 Q14416 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
SCHEMBL8656293 0.92 OPRL1 (0.35) OPRL1GRM2
SCHEMBL8658456 0.91 GAA (0.34) FPR3FPR2SMN1; SMN2GLAKAT2B
SCHEMBL8655360 0.89 SMN1; SMN2 (0.34) FPR3FPR2SMN1; SMN2GLA
SCHEMBL8658494 0.88 PAOX (0.35) FPR3FPR2SMN1; SMN2GLAPAOX
SCHEMBL8654666 0.88 HTR7 (0.39) CHRM2SIGMAR1
SCHEMBL8656723 0.86 SMN1; SMN2 (0.38) FPR3FPR2SMN1; SMN2
SCHEMBL8655456 0.86 SMN1; SMN2 (0.34) SMN1; SMN2HRH2HRH1GLA
SCHEMBL8658344 0.86 GLA (0.33) SMN1; SMN2HRH2HRH1GLA
SCHEMBL8657068 0.86 MAOB (0.33) FPR3FPR2SMN1; SMN2HTR4
SCHEMBL8657783 0.86 CACNA1G (0.42) SMN1; 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
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed