SCHEMBL1744095

SCHEMBL1744095

CC(=O)Nc1ccc(-c2ccc(N3CCCN(C4CC4)CC3)nn2)cc1.CN1CCOc2cc(-c3ccc(N4CCN(C5CC5)CC4)nn3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
TP53 P04637 4/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 10/20 0.44
RAB9A P51151 9/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
HRH3 Q9Y5N1 1/20 0.38
HDAC4 P56524 1/20 0.38
POLB P06746 1/20 0.38
SCD O00767 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1742397 0.86 NPC1 (0.57) MAPTTP53LMNANPC1RAB9A
SCHEMBL1744219 0.86 CYP11B1 (0.45) HDAC4SCD
SCHEMBL1743158 0.82 NPC1 (0.58) MAPTTP53LMNANPC1RAB9A
SCHEMBL1744595 0.76 NPC1 (0.56) MAPTTP53NPC1RAB9AMEN1
SCHEMBL1742755 0.75 NPC1 (0.61) MAPTTP53LMNANPC1RAB9A
SCHEMBL1744081 0.72 MAPT (0.41) MAPTTP53LMNANPC1RAB9A
SCHEMBL1743048 0.72 NPC1 (0.57) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL1743033 0.71 PTPN1 (0.55) MAPTTP53NPC1RAB9AMEN1
SCHEMBL1742851 0.71 NPC1 (0.46) MAPTTP53LMNANPC1RAB9A
SCHEMBL1742279 0.70 NPC1 (0.58) MAPTTP53LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed