SCHEMBL2553239

SCHEMBL2553239

COC(=O)Cc1ccccc1C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.52
SLC6A4 P31645 8/20 0.52
SLC6A3 Q01959 8/20 0.52
HTR2C P28335 8/20 0.51
HTR1A P08908 5/20 0.45
HTR6 P50406 3/20 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
SCHEMBL17080017 0.90 KDM4E (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL6910863 0.86 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR2CHTR1A
SCHEMBL14635403 0.86 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR2CHTR1A
Hydrochloric Acid SCHEMBL1660306 0.85 HTR2C (0.50) SLC6A2SLC6A4SLC6A3HTR2CHTR1A
SCHEMBL12284513 0.84 HTR2A (0.47) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL27747024 0.84 HTR2A (0.47) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL21767469 0.83 KDM4E (0.41)
SCHEMBL31072042 0.83 KDM4E (0.41)
SCHEMBL12281735 0.82 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3HTR2CHTR1A
SCHEMBL10864121 0.78 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3HTR2CHTR1A

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
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed