SCHEMBL9736469

SCHEMBL9736469

C=CCOC(=O)[C@@H](Cl)N1C(=O)[C@@H](CC[C@H]2COC(C)(C)O2)[C@@H]1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.35
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
AVPR1A P37288 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
ELANE P08246 2/20 0.30
APP P05067 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
SCHEMBL10378318 1.00 NPSR1 (0.35) NPSR1TMEM97SIGMAR1AVPR1AALDH1A1
SCHEMBL9736590 0.91 NPSR1 (0.35) NPSR1TMEM97SIGMAR1AVPR1AALDH1A1
SCHEMBL9736381 0.91 NPSR1 (0.35) NPSR1TMEM97SIGMAR1AVPR1AALDH1A1
SCHEMBL10378727 0.91 NPSR1 (0.35) NPSR1TMEM97SIGMAR1AVPR1AALDH1A1
SCHEMBL9735939 0.79 NPSR1 (0.32) NPSR1TMEM97SIGMAR1AVPR1AELANE
SCHEMBL9736833 0.79 NPSR1 (0.32) NPSR1TMEM97SIGMAR1AVPR1AELANE
SCHEMBL9736909 0.71 RAB9A (0.41) ALDH1A1LMNA
SCHEMBL9735904 0.71 RAB9A (0.41) ALDH1A1LMNA
SCHEMBL9740265 0.71
SCHEMBL9735822 0.68 TMEM97 (0.35) NPSR1TMEM97SIGMAR1AVPR1AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5138050-A 6-amido-1-methyl carbapenems MERCK & CO., INC. (US) 1992-08-11 US disclosed
EP-0350211-A2 Novel 6-amido-1-methyl carbapenems MERCK & CO. INC. (US) 1990-01-10 EP disclosed