SCHEMBL7368922

SCHEMBL7368922

CC(C)(C)OC(=O)N1C(CC2CCCCC2)C(CC[C@H](F)c2ccccn2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.35
ADORA2B P29275 6/20 0.35
GPR119 Q8TDV5 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
BACE1 P56817 2/20 0.32
CTSD P07339 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C9 P11712 1/20 0.31
RABGGTB P53611 1/20 0.31
RABGGTA Q92696 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
REN P00797 1/20 0.31

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
SCHEMBL7368916 1.00 ADORA2A (0.35) ADORA2AADORA2BGPR119MEN1KMT2A
SCHEMBL7368920 1.00 ADORA2A (0.35) ADORA2AADORA2BGPR119MEN1KMT2A
SCHEMBL7375102 0.95 ADORA2A (0.34) ADORA2AADORA2BGPR119MEN1KMT2A
SCHEMBL7375103 0.95 ADORA2A (0.34) ADORA2AADORA2BGPR119MEN1KMT2A
SCHEMBL7375107 0.95 ADORA2A (0.34) ADORA2AADORA2BGPR119MEN1KMT2A
SCHEMBL7372865 0.90 ADORA2B (0.36) ADORA2AADORA2BGPR119MEN1KMT2A
SCHEMBL7372868 0.90 ADORA2B (0.36) ADORA2AADORA2BGPR119MEN1KMT2A
SCHEMBL7372869 0.90 ADORA2B (0.36) ADORA2AADORA2BGPR119MEN1KMT2A
SCHEMBL7369150 0.89 BMP1 (0.36) ADORA2AADORA2BGPR119MEN1KMT2A
SCHEMBL7369015 0.89 BMP1 (0.36) 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