SCHEMBL7384389

SCHEMBL7384389

COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(Cc1cccc2c1OCO2)Cc1cccc2c1OCO2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 4/20 0.36
▸ TAS1R1 Q7RTX1 4/20 0.36
▸ EED O75530 1/20 0.34
▸ MT-CO2 P00403 1/20 0.34
▸ MGAM O43451 1/20 0.34
▸ AMY1A P0DUB6 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ DRD2 P14416 4/20 0.34
▸ HTR2A P28223 4/20 0.34
▸ DRD3 P35462 4/20 0.34
▸ MME P08473 1/20 0.33
▸ ECE1 P42892 1/20 0.33
▸ HDAC6 Q9UBN7 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
SCHEMBL7381077 0.84 ACE (0.45) TAS1R3TAS1R1
SCHEMBL8486193 0.81 HRH4 (0.45) MME
SCHEMBL8486197 0.81 HRH4 (0.45) MME
SCHEMBL7386107 0.80 SMN1; SMN2 (0.39) HDAC6
SCHEMBL7380910 0.80 KMT2A (0.45) GAAHDAC6
SCHEMBL9875926 0.78 ALDH1A1 (0.53) GAA
SCHEMBL9875934 0.78 ALDH1A1 (0.53) GAA
SCHEMBL23792241 0.73 MGAM (0.42) TAS1R3TAS1R1MT-CO2MGAMAMY1A
SCHEMBL5808669 0.72 HDAC6 (0.39) GAAHDAC6
SCHEMBL5808668 0.72 HDAC6 (0.39) GAAHDAC6

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-4870183-A RENIN INHIBITORS, HYPOTENSIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 — — US disclosed
EP-0252727-A1 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1988-01-13 — — EP disclosed
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