SCHEMBL9049352

SCHEMBL9049352

BrCC1CCCN(C2(c3cc4ccccc4s3)CCCCC2)C1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
TSHR P16473 1/20 0.66
CYP2C19 P33261 1/20 0.66
THPO P40225 1/20 0.66
SLC6A3 Q01959 1/20 0.66
PMP22 Q01453 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65

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
SCHEMBL9046003 0.89 SIGMAR1 (0.66) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL9048214 0.83 SIGMAR1 (0.70) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL988286 0.80 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL12648367 0.80 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL30687922 0.80 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7698474 0.76 SIGMAR1 (0.62) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL8119380 0.74 SIGMAR1 (0.58) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL9047802 0.74 SIGMAR1 (0.76) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL9050714 0.74 SIGMAR1 (0.67) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7094797 0.72 SIGMAR1 (0.78) SIGMAR1MEN1KMT2ACYP3A4CYP2D6

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
EP-0406111-B1 Substituted arylamines and heteroarylamines, process for their preparation and pharmaceutical composition containing them SOD CONSEILS RECH APPLIC (FR) 1996-10-09 EP claimed