SCHEMBL6599141

SCHEMBL6599141

O=CCN1CCCCC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
SLC18A3 Q16572 1/20 0.43
MAPT P10636 2/20 0.41
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
MCHR1 Q99705 2/20 0.39
NPBWR1 P48145 1/20 0.38

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
SCHEMBL7036663 0.85 HRH3 (0.43) HRH3SLC18A3MAPTLMNAPOLB
SCHEMBL15820429 0.77 HRH3 (0.40) HRH3LMNAGAAALDH1A1
SCHEMBL5261631 0.77 HRH3 (0.45) HRH3SLC18A3MAPTGAAALDH1A1
SCHEMBL16881226 0.76 CYP2C9 (0.41) LMNA
SCHEMBL1877250 0.74 SLC18A3 (0.44) HRH3SLC18A3MAPTLMNAPOLB
SCHEMBL16880537 0.73 CFB (0.43) HRH3
SCHEMBL4014807 0.73 HRH3 (0.40) HRH3MAPTLMNAGAAALDH1A1
SCHEMBL1581647 0.72 SLC18A3 (0.48) SLC18A3MAPTLMNAPOLBGAA
SCHEMBL6599138 0.71 SLC18A3 (0.47) SLC18A3MAPTLMNAALDH1A1
SCHEMBL9252161 0.71 ALDH1A1 (0.43) HRH3SLC18A3MAPTLMNAPOLB

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
EP-1430048-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-06-23 EP disclosed
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO disclosed