SCHEMBL11242830

SCHEMBL11242830

NC(Oc1ccccc1)C(O)CCCNc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A4 P31645 3/20 0.33
METAP2 P50579 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL11239338 0.90 DRD3 (0.33) NPC1RAB9ASLC6A4METAP2HSP90AA1
Hydrochloric Acid SCHEMBL11235609 0.89 DRD3 (0.33) NPC1RAB9ASLC6A4METAP2HSP90AA1
SCHEMBL11238357 0.86 NPC1 (0.43) TRPV4NPC1RAB9AL3MBTL1SLC6A4
Hydrochloric Acid SCHEMBL11233901 0.85 NPC1 (0.43) TRPV4NPC1RAB9AL3MBTL1SLC6A4
SCHEMBL11231203 0.82 NPC1 (0.38) NPC1RAB9AHSP90AA1HSP90AB1MEN1
SCHEMBL11237796 0.82 GAA (0.43) SLC6A4MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL11226921 0.81 RAB9A (0.37) NPC1RAB9AHSP90AA1HSP90AB1MEN1
SCHEMBL11244735 0.80 TSHR (0.36) SLC6A4KMT2APPARGPPARADRD2
Hydrochloric Acid SCHEMBL11230532 0.79 MAPT (0.46) L3MBTL1SLC6A4ALDH1A1MAPTPPARG
Hydrochloric Acid SCHEMBL11237752 0.79 TSHR (0.36) SLC6A4KMT2APPARGPPARADRD2

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
US-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US claimed
US-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US disclosed