SCHEMBL6726653

SCHEMBL6726653

CC1CCCN(CCCOc2ccc3[nH]cc(C(=O)O)c3n2)C1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 5/20 0.52
HRH3 Q9Y5N1 12/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.45

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
SCHEMBL6726280 0.87 DHODH (0.46) KDM4EALDH1A1HRH3SMN1; SMN2
SCHEMBL6726432 0.86 DHODH (0.49) KDM4EALDH1A1HRH3SMN1; SMN2
SCHEMBL6724797 0.84 KDM4E (0.46) KDM4EALDH1A1HRH3SMN1; SMN2
SCHEMBL6724740 0.83 PRKAB2 (0.52) KDM4EALDH1A1HRH3
SCHEMBL6724501 0.82 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2
SCHEMBL6734639 0.81 HRH3 (0.41) HRH3
SCHEMBL6726264 0.80 PRKAB2 (0.53) KDM4EALDH1A1SMN1; SMN2
SCHEMBL6724521 0.78 PRKAB2 (0.46) KDM4EALDH1A1
SCHEMBL6669224 0.77 PRKAB2 (0.34) KDM4EALDH1A1HRH3
SCHEMBL6733358 0.76 PRKAB2 (0.37) KDM4EALDH1A1

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-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US claimed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US disclosed