SCHEMBL9127271

SCHEMBL9127271

CCOC(=O)c1cccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](NC(=O)NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
TP53 P04637 1/20 0.53
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
TCF4 P15884 1/20 0.47
CTNNB1 P35222 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 2/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL8067635 0.88 LMNA (0.58) TP53LMNAKMT2AMAPTMEN1
SCHEMBL8067574 0.88 LMNA (0.58) TP53LMNAKMT2AMAPTMEN1
SCHEMBL6330701 0.87 TP53 (0.64) NPSR1TP53LMNASMN1; SMN2CA12
SCHEMBL6324678 0.84 SMN1; SMN2 (0.60) NPSR1TP53LMNASMN1; SMN2CA12
SCHEMBL8068612 0.84 LMNA (0.73) TP53LMNACA12CA1CA2
SCHEMBL8068608 0.84 LMNA (0.73) TP53LMNACA12CA1CA2
SCHEMBL8067516 0.82 LMNA (0.58) TP53LMNACA12CA1CA2
SCHEMBL8067520 0.82 LMNA (0.58) TP53LMNACA12CA1CA2
SCHEMBL8069626 0.82 LMNA (0.69) TP53LMNACA12CA1CA2
SCHEMBL8069628 0.82 LMNA (0.69) TP53LMNACA12CA1CA2

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-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