SCHEMBL9214693

SCHEMBL9214693

C=CCOC(=O)N1CC(SC(=O)c2ccccc2)CC1CCn1ccnc1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.34
CHRM1 P11229 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8833793 1.00 ECE1 (0.34) ECE1CHRM1MEN1KMT2A
SCHEMBL8833187 0.82 ECE1 (0.35) ECE1CHRM1
SCHEMBL8832719 0.82 ECE1 (0.34) ECE1CHRM1MEN1KMT2A
SCHEMBL8832597 0.81 ECE1 (0.36) ECE1CHRM1MEN1KMT2A
SCHEMBL9543274 0.79 ECE1 (0.34) ECE1CHRM1
SCHEMBL8833028 0.79 ECE1 (0.34) ECE1CHRM1
SCHEMBL9026112 0.79 ECE1 (0.36) ECE1CHRM1MEN1KMT2A
SCHEMBL9027798 0.79 ECE1 (0.36) ECE1CHRM1MEN1KMT2A
SCHEMBL8833197 0.79 ECE1 (0.34) ECE1CHRM1
SCHEMBL9213696 0.79 ECE1 (0.34) ECE1CHRM1

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