SCHEMBL5833264

SCHEMBL5833264

CCCCCCCCCOc1ccc2c(c1)c(CCN)cn2OC(=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.49
HTR1D P28221 7/20 0.49
HTR1B P28222 7/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HTR2A P28223 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ADA P00813 1/20 0.45
EGFR P00533 5/20 0.44
IGF1R P08069 5/20 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
SCHEMBL3115183 0.95 HTR1A (0.52) HTR1AHTR1DHTR1BMAPTMAPK1
SCHEMBL12720754 0.75 ADRB2 (0.71) HTR1AHTR1DHTR1BMAPTMAPK1
SCHEMBL2539667 0.75 SCN9A (0.50) EGFRIGF1RFLT4KDRADRB2
SCHEMBL2540215 0.73 ADRB2 (0.47) HTR1AHTR1DHTR1BCYP1A2CYP2C9
Oxalic Acid SCHEMBL3115180 0.72 HTR1B (0.87) HTR1AHTR1DHTR1BMAPTMAPK1
Oxalic Acid SCHEMBL8628241 0.72 HTR1B (0.87) HTR1AHTR1DHTR1BMAPTMAPK1
SCHEMBL7094588 0.70 ADRB2 (0.60) HTR1AHTR1DHTR1BMAPTCYP1A2
SCHEMBL6830010 0.70 ADRB2 (0.58) HTR1AHTR1DHTR1BMAPTCYP1A2
SCHEMBL15319614 0.67 HTR2A (0.51) HTR1AHTR1DHTR1BMAPTMAPK1
Hydrochloric Acid SCHEMBL21523197 0.66 HTR2A (0.50) HTR1AHTR1DHTR1BMAPTMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020173511-A1 Serotonergic compositions and methods for treatment of mild cognitive impairment WURTMAN RICHARD J (US) 2002-11-21 US claimed
WO-2002038142-A2 SEROTONERGIC COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 WO claimed
US-20060079447-A1 Stabilized A-beta protofibrillar aggregates UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-04-13 US disclosed
US-7013836-B1 Enhancing maturation of oocytes in bivalves BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2006-03-21 US disclosed
US-20020173511-A1 Serotonergic compositions and methods for treatment of mild cognitive impairment WURTMAN RICHARD J (US) 2002-11-21 US disclosed
WO-2002038142-A2 SEROTONERGIC COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 WO disclosed