SCHEMBL11233872

SCHEMBL11233872

NC(CCNc1ccc(Br)cc1)C(O)COc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
ADRB2 P07550 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
CYP2D6 P10635 1/20 0.38
SCN4A P35499 2/20 0.38
LTA4H P09960 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
Hydrochloric Acid SCHEMBL11230529 0.89 MAPT (0.50) MAPTMEN1KMT2AHTTADRB1
SCHEMBL11237785 0.87 SCN4A (0.46) MAPTMEN1KMT2AHTTGAA
SCHEMBL11240121 0.86 CASR (0.48) MAPTMEN1KMT2AHTTHPGD
SCHEMBL11230723 0.82 MEN1 (0.48) MAPTMEN1KMT2AHTTHPGD
SCHEMBL11237823 0.81 MAPT (0.42) MAPTMEN1KMT2AHTTGAA
SCHEMBL11234636 0.80 HTT (0.41) MAPTMEN1KMT2AHTTALDH1A1
Hydrochloric Acid SCHEMBL11236940 0.80 MAPT (0.41) MAPTMEN1KMT2AHTTGAA
SCHEMBL11238954 0.79 MAPT (0.47) MAPTHTTHPGDMAPK1ADRB1
Hydrochloric Acid SCHEMBL11235230 0.78 MAPT (0.46) MAPTHTTHPGDMAPK1ADRB1
SCHEMBL11243705 0.77 TSHR (0.46) MAPTMEN1KMT2AHTTALDH1A1

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