SCHEMBL7377791

SCHEMBL7377791

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FAAH O00519 4/20 0.40
HPGD P15428 2/20 0.36
GPR119 Q8TDV5 1/20 0.35
RABGGTB P53611 1/20 0.33
RABGGTA Q92696 1/20 0.33
PRKCB P05771 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
RECQL P46063 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
SCHEMBL7377787 1.00 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7378315 0.95 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7378313 0.95 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9444930 0.87 HPGD (0.41) SMN1; SMN2MEN1KMT2AHPGDGPR119
SCHEMBL7292645 0.87 HPGD (0.41) SMN1; SMN2MEN1KMT2AHPGDGPR119
SCHEMBL7379259 0.86 FAAH (0.39) KMT2AFAAHGPR119
SCHEMBL7379260 0.86 FAAH (0.39) KMT2AFAAHGPR119
SCHEMBL7369150 0.86 BMP1 (0.36) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7369015 0.86 BMP1 (0.36) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7369146 0.86 BMP1 (0.36) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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