SCHEMBL5598241

SCHEMBL5598241

O=C(NC(O)C1CCCCCC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
CCR1 P32246 1/20 0.50
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
CTSS P25774 5/20 0.47
CTSL P07711 4/20 0.47
CTSK P43235 4/20 0.47
CTSV O60911 3/20 0.47
MEN1 O00255 2/20 0.47
CTSB P07858 2/20 0.47
MAPK1 P28482 1/20 0.47
EPHX1 P07099 2/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL5598470 1.00 RAB9A (0.53) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6171268 1.00 RAB9A (0.53) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6170529 0.95 KMT2A (0.49) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL27337850 0.85 RAB9A (0.54) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7761517 0.83 RAB9A (0.53) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL27666301 0.82 TAS1R3 (0.55) RAB9ANPC1ALDH1A1KMT2ACCR1
SCHEMBL27666303 0.82 TAS1R3 (0.55) RAB9ANPC1ALDH1A1KMT2ACCR1
SCHEMBL16671590 0.82 RAB9A (0.51) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL11242555 0.82 RAB9A (0.51) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL21274426 0.80 CCR1 (0.56) RAB9ANPC1ALDH1A1KMT2ACCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763353-A1 COMBINATION THERAPIES UTILIZING BENZAMIDE INHIBITORS OF THE P2X<sb>7</sb> RECEPTOR Warner-Lambert Company LLC (US) 2007-03-21 EP disclosed
WO-2006003517-A1 COMBINATION THERAPIES UTILIZING BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2006-01-12 WO disclosed
EP-1581232-A1 3-(3,5-DIOXO-4,5-DIHYDRO-3H-(1,2,4)TRIAZIN-2-YL)-BENZAMIDE DERIVATIVES AS P2X7-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES Pfizer Products Inc. (US) 2005-10-05 EP disclosed
EP-1581507-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR Pfizer Products Inc. (US) 2005-10-05 EP disclosed
WO-2004058731-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PRODUCTS INC. (US) 2004-07-15 WO disclosed
WO-2004058270-A1 3-(3,5-DIOXO-4,5-DIHYDRO-3H-(1,2,4)TRIAZIN-2-YL)-BENZAMIDE DERIVATIVES AS P2X7-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES PFIZER PRODUCTS INC. (US) 2004-07-15 WO disclosed