SCHEMBL8445602

SCHEMBL8445602

O=C(OCc1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCNC1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.41
HTR2A P28223 4/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7454400 0.86 USP30 (0.47) HTR2ATDP1
SCHEMBL8447182 0.86 USP30 (0.47) HTR2ATDP1
Hydrochloric Acid SCHEMBL7464662 0.85 USP30 (0.47) HTR2ATDP1
SCHEMBL8448555 0.85 ALDH1A1 (0.39) HTR2ATDP1
SCHEMBL8444895 0.85 ALDH1A1 (0.39) HTR2ATDP1
Hydrochloric Acid SCHEMBL8447217 0.83 TDP1 (0.38) HTR2ATDP1
SCHEMBL27390601 0.82 ALDH1A1 (0.41) CCR5HTR2ATDP1
Hydrochloric Acid SCHEMBL8447164 0.82 TDP1 (0.37) HTR2ATDP1
Hydrochloric Acid SCHEMBL8445717 0.82 ALDH1A1 (0.40) CCR5HTR2ATDP1
Hydrochloric Acid SCHEMBL8448896 0.82 IDO1 (0.38) TDP1

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
CN-1093861-C 1-methylcarbapenem derivatives SANKYO CO (JP) 2002-11-06 CN disclosed
US-5977097-A 1-methylcarbapenem derivatives SANKYO COMPANY LIMITED (JP) 1999-11-02 US disclosed
EP-0900797-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1999-03-10 EP disclosed