SCHEMBL14044375

SCHEMBL14044375

COC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCNC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
HRH1 P35367 1/20 0.46
SCN1A P35498 1/20 0.46
KMT2A Q03164 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
KCNN4 O15554 1/20 0.46
SSTR4 P31391 2/20 0.43
SSTR1 P30872 1/20 0.43
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
JAK3 P52333 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL13601291 0.84 MEN1 (0.50) CYP2D6MEN1LMNAHRH1SCN1A
SCHEMBL4396455 0.81 KMT2A (0.50) CYP2D6MEN1LMNAHRH1SCN1A
SCHEMBL953947 0.81 KMT2A (0.50) CYP2D6MEN1LMNAHRH1SCN1A
SCHEMBL958241 0.81 KMT2A (0.50) CYP2D6MEN1LMNAHRH1SCN1A
SCHEMBL963408 0.80 MEN1 (0.46) CYP2D6MEN1LMNAHRH1SCN1A
SCHEMBL5657376 0.80 MEN1 (0.43) CYP2D6MEN1LMNAHRH1SCN1A
Hydrochloric Acid SCHEMBL10869034 0.79 KMT2A (0.49) CYP2D6MEN1LMNAHRH1SCN1A
Bromide SCHEMBL4505514 0.79 KMT2A (0.49) CYP2D6MEN1LMNAHRH1SCN1A
Bromide SCHEMBL4505510 0.79 KMT2A (0.49) CYP2D6MEN1LMNAHRH1SCN1A
SCHEMBL13500109 0.78 KEAP1 (0.49) CYP2D6MEN1LMNAHRH1SCN1A

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-2008126106-A2 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF INTERMEDIATES OF DARIFENACIN, DARIFENACIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS SATYANARAYANA REDDY MANNE (IN) 2008-10-23 WO disclosed