SCHEMBL8074014

SCHEMBL8074014

O=C(Nc1ccc(Cl)cc1)N[C@H](c1ccccc1)[C@H](NC(=O)NS(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
CASR P41180 1/20 0.48
LMNA P02545 1/20 0.48
IDH1 O75874 1/20 0.47
MAPT P10636 5/20 0.47
ALDH1A1 P00352 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 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
SCHEMBL8074022 1.00 CNR1 (0.52) CNR1MEN1KMT2ACA12CA1
SCHEMBL8068755 0.92 LMNA (0.62) CNR1MEN1KMT2ACA12CA1
SCHEMBL8068750 0.92 LMNA (0.62) CNR1MEN1KMT2ACA12CA1
SCHEMBL8071970 0.92 LMNA (0.62) CNR1MEN1KMT2ACA12CA1
SCHEMBL9529388 0.85 LMNA (0.63) MEN1KMT2ACA12CA1CA2
SCHEMBL8067593 0.85 CNR1 (0.69) CNR1MEN1KMT2ACASRLMNA
SCHEMBL8067598 0.85 CNR1 (0.69) CNR1MEN1KMT2ACASRLMNA
SCHEMBL8069628 0.85 LMNA (0.69) MEN1KMT2ACA12CA1CA2
SCHEMBL8069626 0.85 LMNA (0.69) MEN1KMT2ACA12CA1CA2
SCHEMBL9127545 0.85 LMNA (0.69) MEN1KMT2ACA12CA1CA2

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 5 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 claimed
WO-1994006757-A1 AGENTS ACTING AT CHOLECYSTOKININ RECEPTORS WARNER-LAMBERT COMPANY (US) 1994-03-31 WO claimed
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