SCHEMBL7359787

SCHEMBL7359787

CC(C)CCNC(=O)C1CCCC1C(O)C(N)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.42
METAP2 P50579 5/20 0.42
CPB2 Q96IY4 1/20 0.41
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSD P07339 4/20 0.38
ANPEP P15144 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
METAP1 P53582 4/20 0.35
BACE1 P56817 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7330273 0.77 REN (0.36) RENMETAP2CTSDMETAP1BACE1
SCHEMBL7325941 0.73 BACE1 (0.44) RENMETAP2CTSDMETAP1BACE1
SCHEMBL9831134 0.71 REN (0.51) RENMETAP2CPB2MMP2MMP8
SCHEMBL10608625 0.71 REN (0.51) RENMETAP2CPB2MMP2MMP8
SCHEMBL14415380 0.71 REN (0.60) RENMETAP2CPB2MMP2MMP8
SCHEMBL7355979 0.71 REN (0.48) RENMETAP2CPB2MMP2MMP8
SCHEMBL14420289 0.71 REN (0.60) RENMETAP2CPB2MMP2MMP8
Hydrochloric Acid SCHEMBL9832396 0.70 REN (0.50) RENMETAP2CPB2MMP2MMP8
Hydrochloric Acid SCHEMBL9832917 0.70 REN (0.47) RENMETAP2CPB2MMP2MMP8
Hydrochloric Acid SCHEMBL7385221 0.70 REN (0.47) RENMETAP2CPB2MMP2MMP8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed