SCHEMBL7749893

SCHEMBL7749893

CN(C)C(=O)N1CCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.55
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
HTR2C P28335 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.50
LMNA P02545 3/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD2 P14416 1/20 0.44
NOTUM Q6P988 2/20 0.43
TNF P01375 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7754766 0.89 DRD2 (0.55) DRD4ADRB2ADRB1HTR2CSIRT2
SCHEMBL615623 0.85 NOTUM (0.61) DRD4HTR2CSIRT2LMNANPC1
SCHEMBL27888907 0.84 HTR2C (0.58) DRD4HTR2CSIRT2LMNANPC1
SCHEMBL15784402 0.83 DRD4 (0.57) DRD4HTR2CSIRT2LMNANPC1
SCHEMBL853931 0.83 HTR2C (0.57) DRD4HTR2CSIRT2LMNANPC1
SCHEMBL25321827 0.81 HTR2C (0.56) DRD4HTR2CSIRT2LMNANPC1
SCHEMBL2845681 0.81 HTR2C (0.61) DRD4ADRB2ADRB1HTR2CSIRT2
SCHEMBL30475931 0.81 HTR2C (0.56) DRD4HTR2CSIRT2LMNANPC1
SCHEMBL2061374 0.80 HPGD (0.47) SIRT2LMNANPC1MAPTHTT
SCHEMBL15108132 0.79 NOTUM (0.69) DRD4ADRB2ADRB1HTR2CNPC1

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-0604278-B1 Indoline derivatives and dye compositions for keratinic fibres OREAL (FR) 2001-02-21 EP claimed