SCHEMBL1697462

SCHEMBL1697462

CC(=O)n1cc(C(C)C2CCCN2)c2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
MBTD1 Q05BQ5 1/20 0.34
BAZ2B Q9UIF8 2/20 0.33

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
SCHEMBL6968879 0.87 DYRK1A (0.42) SLC6A2SLC6A4SLC6A3MBTD1
SCHEMBL1697442 0.77 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL7481653 0.77 CNR2 (0.39) PRPS1SMN1; SMN2
SCHEMBL7006178 0.77 CDC7 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL7470825 0.76 HTR1A (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL7472995 0.76 HTR6 (0.48)
SCHEMBL8209787 0.74 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL7473942 0.74 PRPS1 (0.34) PRPS1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL8208574 0.73 AKR1C3 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL8208589 0.72 KMT2A (0.44) SLC6A2SLC6A4SLC6A3

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
WO-2012004811-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTSITUTED INDOLE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-01-12 WO disclosed