SCHEMBL8058342

SCHEMBL8058342

COc1cccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](NC(=O)NC2CCCCC2)c2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.73
NPC1 O15118 5/20 0.73
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NFKB1 P19838 1/20 0.59
CASP3 P42574 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
MAPT P10636 4/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CASR P41180 1/20 0.54
EPHX1 P07099 5/20 0.53
LMNA P02545 4/20 0.53
EPHX2 P34913 2/20 0.53
HTT P42858 2/20 0.52
PKM P14618 1/20 0.51

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
SCHEMBL8058343 1.00 RAB9A (0.73) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL8058429 0.88 EPHX1 (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL8058426 0.88 EPHX1 (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL8069606 0.84 RAB9A (0.72) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8069608 0.84 RAB9A (0.72) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8067567 0.82 LMNA (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AEPHX1
SCHEMBL8067570 0.82 LMNA (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AEPHX1
SCHEMBL8067568 0.80 EPHX1 (0.73) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8058760 0.78 EPHX1 (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL8058763 0.78 EPHX1 (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1

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