SCHEMBL7280684

SCHEMBL7280684

CN1C(=O)CC[C@H]1COCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PDK2 Q15119 3/20 0.42
PTGER2 P43116 3/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
TSHR P16473 1/20 0.40
PTGDR Q13258 1/20 0.39
GRM5 P41594 1/20 0.39
REN P00797 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL7280680 1.00 LMNA (0.43) LMNAPDK2PTGER2PSEN1PSEN2
SCHEMBL5234625 0.82 LMNA (0.43) LMNAPTGER2PSEN1PSEN2APH1B
SCHEMBL5233981 0.82 LMNA (0.43) LMNAPTGER2PSEN1PSEN2APH1B
SCHEMBL5233974 0.82 LMNA (0.43) LMNAPTGER2PSEN1PSEN2APH1B
SCHEMBL27939222 0.81 HCRTR1 (0.44) LMNAPTGER2
SCHEMBL27939223 0.81 HCRTR1 (0.44) LMNAPTGER2
SCHEMBL19575250 0.81 BCHE (0.44) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL6879875 0.80 SRD5A1 (0.42)
SCHEMBL4193681 0.79 LMNA (0.43) LMNACTSLCTSBCTSKTSHR
SCHEMBL4193675 0.79 LMNA (0.43) LMNACTSLCTSBCTSKTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006511-A Treating hypertension, congestive heart failure MERCK & CO., INC. (US) 1991-04-09 US disclosed
EP-0312283-A2 Di-or tripeptide renin inhibitors containing lactam conformational restrictions in ACHPA MERCK & CO. INC. (US) 1989-04-19 EP disclosed