SCHEMBL8833600

SCHEMBL8833600

C=CCOC(=O)N1C[C@@H](SC(=O)c2ccccc2)C[C@H]1Cc1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ECE1 P42892 1/20 0.36
CHRNA7 P36544 6/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
ABCB1 P08183 1/20 0.36
CHRM1 P11229 1/20 0.35
FKBP1A P62942 1/20 0.35
GPR52 Q9Y2T5 1/20 0.34
RAB9A P51151 1/20 0.33
TGM2 P21980 1/20 0.33

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
SCHEMBL8833609 0.90 ECE1 (0.38) KMT2AECE1ABCB1CHRM1
SCHEMBL9025780 0.85 ECE1 (0.37) KMT2AECE1ABCB1CHRM1
SCHEMBL9025782 0.85 ECE1 (0.37) KMT2AECE1ABCB1CHRM1
SCHEMBL8832778 0.85 ECE1 (0.36) KMT2ATDP1ECE1ABCB1CHRM1
SCHEMBL8833492 0.84 ECE1 (0.37) KMT2AECE1CHRNB2CHRNA4CHRM1
SCHEMBL9215980 0.84 ECE1 (0.37) KMT2AECE1CHRNB2CHRNA4CHRM1
SCHEMBL9027724 0.83 ECE1 (0.37) KMT2AECE1ABCB1CHRM1
SCHEMBL9027719 0.83 ECE1 (0.37) KMT2AECE1ABCB1CHRM1
SCHEMBL9026112 0.83 ECE1 (0.36) KMT2AECE1CHRM1
SCHEMBL9027798 0.83 ECE1 (0.36) KMT2AECE1CHRM1

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 3 patents. 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
EP-0636133-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1993021186-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-28 WO disclosed