SCHEMBL8058334

SCHEMBL8058334

COc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](NC(=O)NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
CNR1 P21554 1/20 0.52
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
TP53 P04637 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA13 Q8N1Q1 1/20 0.51
CA14 Q9ULX7 1/20 0.51
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL8058336 1.00 LMNA (0.59) LMNACNR1CA12CA1CA2
SCHEMBL9127545 0.92 LMNA (0.69) LMNACA12CA1CA2CA9
SCHEMBL8069626 0.92 LMNA (0.69) LMNACA12CA1CA2CA9
SCHEMBL8069628 0.92 LMNA (0.69) LMNACA12CA1CA2CA9
SCHEMBL8068612 0.90 LMNA (0.73) LMNACA12CA1CA2CA9
SCHEMBL8068608 0.90 LMNA (0.73) LMNACA12CA1CA2CA9
SCHEMBL8068755 0.87 LMNA (0.62) LMNACNR1CA12CA1CA2
SCHEMBL8071970 0.87 LMNA (0.62) LMNACNR1CA12CA1CA2
SCHEMBL8068750 0.87 LMNA (0.62) LMNACNR1CA12CA1CA2
SCHEMBL9126451 0.85 MAPT (0.56) LMNACNR1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103761-A Agents acting at cholecystokinin receptors WARNER-LAMBERT COMPANY (US) 2000-08-15 US disclosed
US-5389682-A Appetite suppressants, anxiolytic agents, gastric acid inhibition WARNER-LAMBERT COMPANY (US) 1995-02-14 US disclosed
WO-1994006757-A1 AGENTS ACTING AT CHOLECYSTOKININ RECEPTORS WARNER-LAMBERT COMPANY (US) 1994-03-31 WO disclosed