SCHEMBL8833609

SCHEMBL8833609

C=CCOC(=O)N1C[C@@H](SC(=O)c2ccccc2)C[C@H]1Cc1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.38
CHRM1 P11229 1/20 0.36
TACR1 P25103 2/20 0.36
ELANE P08246 3/20 0.35
SNCA P37840 1/20 0.34
ABCB1 P08183 3/20 0.34
FAAH O00519 3/20 0.33
MGLL Q99685 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP19A1 P11511 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
F2 P00734 2/20 0.31
CTSG P08311 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 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
SCHEMBL8833600 0.90 LMNA (0.38) ECE1CHRM1ABCB1KMT2A
SCHEMBL9027719 0.88 ECE1 (0.37) ECE1CHRM1TACR1ELANEABCB1
SCHEMBL9027724 0.88 ECE1 (0.37) ECE1CHRM1TACR1ELANEABCB1
SCHEMBL9027798 0.87 ECE1 (0.36) ECE1CHRM1FAAHMGLLMEN1
SCHEMBL9026112 0.87 ECE1 (0.36) ECE1CHRM1FAAHMGLLMEN1
SCHEMBL8833492 0.86 ECE1 (0.37) ECE1CHRM1FAAHMGLLL3MBTL1
SCHEMBL9215980 0.86 ECE1 (0.37) ECE1CHRM1FAAHMGLLL3MBTL1
SCHEMBL9025780 0.86 ECE1 (0.37) ECE1CHRM1ABCB1FAAHMGLL
SCHEMBL9025782 0.86 ECE1 (0.37) ECE1CHRM1ABCB1FAAHMGLL
SCHEMBL8832778 0.85 ECE1 (0.36) ECE1CHRM1ELANEABCB1FAAH

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-5608056-A Substituted 3-pyrrolidinylthio-carbapenems as antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-04 US disclosed