SCHEMBL7966600

SCHEMBL7966600

Cc1cc(C)nc(NC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.47
NOS2 P35228 1/20 0.47
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
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
EPHX2 P34913 4/20 0.40
CREBBP Q92793 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LCK P06239 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
SCHEMBL7994913 0.83 L3MBTL1 (0.43) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL7996560 0.77 L3MBTL1 (0.57) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL7977522 0.77 NPC1 (0.46) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL7967024 0.75 ALDH1A1 (0.59) NOS2L3MBTL1NPC1MAPTMAPK1
SCHEMBL9084090 0.74 TSHR (0.41) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL7976984 0.71 RAB9A (0.43) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL7994986 0.71 L3MBTL1 (0.50) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL9084428 0.70 TSHR (0.38) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL9085242 0.69 TSHR (0.47) 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-2001074778-A1 (1-ADAMANTYLAMINO)PYRIDINES AND METHOD OF THEIR PREPARATION FUNDACJA ROZWOJU DIAGNOSTYKI I TERAPII (PL) 2001-10-11 WO claimed
WO-2001074778-A1 (1-ADAMANTYLAMINO)PYRIDINES AND METHOD OF THEIR PREPARATION FUNDACJA ROZWOJU DIAGNOSTYKI I TERAPII (PL) 2001-10-11 WO disclosed