SCHEMBL7994913

SCHEMBL7994913

Cc1cc(NC23CC4CC(CC(C4)C2)C3)nc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
EPHX2 P34913 3/20 0.40
HSD11B1 P28845 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
GAA P10253 3/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL7966600 0.83 NOS3 (0.47) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL7996560 0.77 L3MBTL1 (0.57) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL9084090 0.74 TSHR (0.41) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL7977522 0.73 NPC1 (0.46) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL7994986 0.71 L3MBTL1 (0.50) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL9084428 0.70 TSHR (0.38) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL7967024 0.69 ALDH1A1 (0.59) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL9085242 0.69 TSHR (0.47) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL7976984 0.68 RAB9A (0.43) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL7994849 0.66 EPHX2 (0.50) L3MBTL1NPC1MAPTMAPK1RAB9A

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
WO-2001074789-A1 NEW (1-ADAMANTYLAMINO)PYRIMIDINES AND METHOD OF THEIR PREPARATION FUNDACJA ROZWOJU DIAGNOSTYKI I TERAPII (PL) 2001-10-11 WO claimed
WO-2001074789-A1 NEW (1-ADAMANTYLAMINO)PYRIMIDINES AND METHOD OF THEIR PREPARATION FUNDACJA ROZWOJU DIAGNOSTYKI I TERAPII (PL) 2001-10-11 WO disclosed