SCHEMBL8069606

SCHEMBL8069606

O=C(Nc1cccc(Cl)c1)N[C@@H](c1ccccc1)[C@@H](NC(=O)NC1CCCCC1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.72
NPC1 O15118 7/20 0.72
EPHX1 P07099 6/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
EPHX2 P34913 3/20 0.72
LMNA P02545 3/20 0.72
TSHR P16473 2/20 0.72
SMN1; SMN2 Q16637 4/20 0.55
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
GAA P10253 1/20 0.52
CASR P41180 1/20 0.52
HTT P42858 2/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
EGFR P00533 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
SCHEMBL8069608 1.00 RAB9A (0.72) RAB9ANPC1EPHX1MEN1KMT2A
SCHEMBL8058760 0.87 EPHX1 (0.67) RAB9ANPC1EPHX1MEN1KMT2A
SCHEMBL8058763 0.87 EPHX1 (0.67) RAB9ANPC1EPHX1MEN1KMT2A
SCHEMBL12196175 0.84 RAB9A (1.00) RAB9ANPC1EPHX1MEN1KMT2A
SCHEMBL8058343 0.84 RAB9A (0.73) RAB9ANPC1EPHX1MEN1KMT2A
SCHEMBL8058342 0.84 RAB9A (0.73) RAB9ANPC1EPHX1MEN1KMT2A
SCHEMBL2751657 0.83 RAB9A (0.97) RAB9ANPC1EPHX1MEN1KMT2A
SCHEMBL8067568 0.83 EPHX1 (0.73) RAB9ANPC1EPHX1MEN1KMT2A
SCHEMBL8067991 0.81 RAB9A (0.72) RAB9ANPC1EPHX1MEN1KMT2A
SCHEMBL8067993 0.81 RAB9A (0.72) RAB9ANPC1EPHX1MEN1KMT2A

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-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