SCHEMBL13876157

SCHEMBL13876157

c1ccc(-c2cc(N3CCNCC3)no2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.56
SLC6A3 Q01959 2/20 0.56
HTR1A P08908 4/20 0.47
HTR7 P34969 4/20 0.47
PLD1 Q13393 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
CSNK1D P48730 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
HTR6 P50406 3/20 0.45
HTR2A P28223 1/20 0.45
HTR5A P47898 1/20 0.45
NOTUM Q6P988 1/20 0.45
ADRB1 P08588 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44

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
SCHEMBL30931000 0.88 HTR7 (0.51) SLC6A2SLC6A3HTR1AHTR7PLD1
SCHEMBL30931122 0.74 HTR7 (0.44) SLC6A2SLC6A3HTR1AHTR7HTR6
SCHEMBL21523722 0.74 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MEN1HPGD
SCHEMBL24719517 0.73 SLC6A2 (0.42) SLC6A2SLC6A3HTR1AHTR7PLD1
SCHEMBL30123979 0.73 SLC6A2 (0.42) SLC6A2SLC6A3HTR1AHTR7PLD1
Bromide SCHEMBL29182849 0.72 SLC6A2 (0.41) SLC6A2SLC6A3PLD1RAB9ANPC1
SCHEMBL6032840 0.72 CHRNA7 (0.55) RAB9ANPC1NOTUMSMN1; SMN2HTR3A
SCHEMBL28603671 0.72 SLC6A2 (1.00) SLC6A2SLC6A3HTR1ARAB9ANPC1
SCHEMBL20325708 0.71 CYP1A2 (0.48) SLC6A2SLC6A3PLD1ADRB1NCF1
SCHEMBL3442456 0.70 DYRK1A (0.64) HTR1AHTR7PLD1CSNK1DMAPK11

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-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP disclosed