SCHEMBL7369150

SCHEMBL7369150

CC(C)(C)OC(=O)N1[C@@H](CC2CCCCC2)[C@H](CCC[C@@H](O)c2ccccn2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 5/20 0.36
ADORA2A P29274 4/20 0.35
ADORA2B P29275 4/20 0.35
GPR119 Q8TDV5 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
NAMPT P43490 1/20 0.33
CTSD P07339 2/20 0.32
REN P00797 1/20 0.32
CTSE P14091 1/20 0.32
BACE1 P56817 2/20 0.32
FAAH O00519 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL7369015 1.00 BMP1 (0.36) BMP1ADORA2AADORA2BGPR119MEN1
SCHEMBL7369146 1.00 BMP1 (0.36) BMP1ADORA2AADORA2BGPR119MEN1
SCHEMBL7375107 0.93 ADORA2A (0.34) BMP1ADORA2AADORA2BGPR119MEN1
SCHEMBL7375102 0.93 ADORA2A (0.34) BMP1ADORA2AADORA2BGPR119MEN1
SCHEMBL7375103 0.93 ADORA2A (0.34) BMP1ADORA2AADORA2BGPR119MEN1
SCHEMBL7378309 0.92 ADORA2A (0.34) BMP1ADORA2AADORA2BGPR119MEN1
SCHEMBL7378307 0.92 ADORA2A (0.34) BMP1ADORA2AADORA2BGPR119MEN1
SCHEMBL7378306 0.92 ADORA2A (0.34) BMP1ADORA2AADORA2BGPR119MEN1
SCHEMBL7368920 0.89 ADORA2A (0.35) ADORA2AADORA2BGPR119MEN1KMT2A
SCHEMBL7368916 0.89 ADORA2A (0.35) ADORA2AADORA2BGPR119MEN1KMT2A

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-0310015-A2 Renin-inhibiting dipeptides, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-05 EP disclosed