SCHEMBL9845923

SCHEMBL9845923

CC(C)(C)OC(=O)N1C(CC2CCCCC2)C(COc2ccccn2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 2/20 0.34
RECQL P46063 1/20 0.33
RABGGTB P53611 1/20 0.33
RABGGTA Q92696 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RORC P51449 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
SCHEMBL9438059 0.91 GPR119 (0.36) GPR119MEN1KMT2AHPGDRECQL
SCHEMBL7378315 0.84 SMN1; SMN2 (0.41) GPR119MEN1KMT2AHPGDRECQL
SCHEMBL7378313 0.84 SMN1; SMN2 (0.41) GPR119MEN1KMT2AHPGDRECQL
SCHEMBL7292645 0.83 HPGD (0.41) GPR119MEN1KMT2AHPGDRECQL
SCHEMBL9444930 0.83 HPGD (0.41) GPR119MEN1KMT2AHPGDRECQL
SCHEMBL9438091 0.83 REN (0.38) GPR119MEN1KMT2AHPGDRABGGTB
SCHEMBL7377791 0.83 SMN1; SMN2 (0.40) GPR119MEN1KMT2AHPGDRECQL
SCHEMBL7377787 0.83 SMN1; SMN2 (0.40) GPR119MEN1KMT2AHPGDRECQL
SCHEMBL7373639 0.82 GPR119 (0.34) GPR119MEN1KMT2AHPGDRECQL
SCHEMBL7369146 0.82 BMP1 (0.36) GPR119MEN1KMT2AHPGDNPC1

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-0456039-A2 Renin inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1991-11-13 EP disclosed