SCHEMBL7968426

SCHEMBL7968426

CC1CC(c2ccc3ccccc3c2)CCN1N1CCC(c2ccc3ccccc3c2)CC1C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.55
DRD2 P14416 1/20 0.55
KDM4E B2RXH2 1/20 0.49
HTR1A P08908 1/20 0.43
SLC6A2 P23975 11/20 0.43
SLC6A3 Q01959 11/20 0.43
HRH3 Q9Y5N1 2/20 0.41
CYP2D6 P10635 5/20 0.41
KCNH2 Q12809 3/20 0.41
ACHE P22303 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL5756822 0.86 SLC6A4 (0.57) SLC6A4DRD2KDM4EHTR1ASLC6A2
SCHEMBL10268348 0.77 SLC6A4 (0.69) SLC6A4DRD2KDM4ESLC6A2SLC6A3
SCHEMBL4457596 0.76 SLC6A4 (0.48) SLC6A4DRD2KDM4ESLC6A2SLC6A3
SCHEMBL7955713 0.76 GAA (0.46) SLC6A4DRD2HTR1AHRH3
SCHEMBL5758570 0.76 GAA (0.46) SLC6A4DRD2HTR1AHRH3
SCHEMBL7955710 0.76 GAA (0.46) SLC6A4DRD2HTR1AHRH3
SCHEMBL13698231 0.74 SLC6A4 (0.61) SLC6A4DRD2KDM4EHTR1ASLC6A2
SCHEMBL5405317 0.73 SLC6A4 (0.59) SLC6A4DRD2KDM4ESLC6A2SLC6A3
SCHEMBL5756712 0.73 SLC6A4 (0.46) SLC6A4DRD2KDM4ESLC6A2SLC6A3
SCHEMBL5757587 0.73 SLC6A4 (0.46) SLC6A4DRD2KDM4ESLC6A2SLC6A3

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
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed