SCHEMBL11239338

SCHEMBL11239338

NC(Oc1ccccc1)C(O)CCCNc1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DPP4 P27487 1/20 0.33
SLC6A4 P31645 3/20 0.32
MAPK1 P28482 1/20 0.32
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CASR P41180 2/20 0.32
STK17B O94768 1/20 0.32
STK17A Q9UEE5 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTR1A P08908 1/20 0.31
ADRA2B P18089 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
Hydrochloric Acid SCHEMBL11235609 0.99 DRD3 (0.33) DRD3DRD2DRD4DPP4SLC6A4
SCHEMBL11242830 0.90 TRPV4 (0.35) DRD2DRD4SLC6A4HSP90AA1HSP90AB1
SCHEMBL11231203 0.87 NPC1 (0.38) DRD3DRD2DRD4CASRHSP90AA1
Hydrochloric Acid SCHEMBL11226921 0.86 RAB9A (0.37) DRD3DRD2DRD4CASRHSP90AA1
SCHEMBL11244735 0.84 TSHR (0.36) DRD3DRD2DRD4SLC6A4MAPK1
SCHEMBL11229508 0.84 THRB (0.42) TAAR1HTR1AHTR2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL11238437 0.83 THRB (0.41) TAAR1HTR1AHTR2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL11237752 0.83 TSHR (0.36) DRD3DRD2DRD4SLC6A4MAPK1
SCHEMBL11237796 0.82 GAA (0.43) DRD3DRD2DRD4SLC6A4CASR
SCHEMBL11238357 0.81 NPC1 (0.43) SLC6A4NPC1RAB9AALDH1A1MAPT

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