SCHEMBL9344830

SCHEMBL9344830

COC(=O)c1cc(N2CCOCC2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.54
IP6K1 Q92551 1/20 0.51
PRKDC P78527 1/20 0.51
MAPT P10636 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
ALOX15 P16050 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
SIRT6 Q8N6T7 1/20 0.47
HTT P42858 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
SCHEMBL5054798 0.89 PRKDC (0.55) LGMNPRKDCMAPTNPC1RAB9A
SCHEMBL20509930 0.87 IP6K1 (0.68) IP6K1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL26604551 0.87 PRKDC (0.58) PRKDCMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL40467 0.86 IP6K1 (0.66) IP6K1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17827898 0.85 LGMN (0.60) LGMNIP6K1PRKDCMAPTSMN1; SMN2
SCHEMBL27170961 0.84 SIRT6 (0.64) IP6K1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5058325 0.84 PRKDC (0.59) PRKDCMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL340945 0.84 PRKDC (0.67) LGMNIP6K1PRKDCMAPTMEN1
SCHEMBL23662583 0.83 MAPT (0.53) PRKDCMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL31390780 0.83 PRKDC (0.51) PRKDCMAPTNPC1RAB9ASMN1; SMN2

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
WO-2023287730-A1 TRICYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC (US) 2023-01-19 WO disclosed
US-5308846-A Vision defects, hypotensive agents MERCK & CO., INC. (US) 1994-05-03 US disclosed
US-5256667-A Treating glaucoma; hypotensive agents MERCK & CO., INC. (US) 1993-10-26 US disclosed
US-5202322-A Hypotensive agents; vision and nervous system disorders MERCK & CO., INC. (US) 1993-04-13 US disclosed
EP-0534706-A1 Quinazolinones and pyridopyrimidinones useful as angiotensin II antagonists MERCK & CO. INC. (US) 1993-03-31 EP disclosed