SCHEMBL9879346

SCHEMBL9879346

CNC(C)(Cc1ccccc1)c1ccccc1.COC(=O)C(N)(Cc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 2/20 0.52
MAPK1 P28482 1/20 0.51
KCNN4 O15554 1/20 0.43
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.40
PTPN1 P18031 3/20 0.40
PTPN2 P17706 1/20 0.40
PTPRA P18433 1/20 0.40
PTPRB P23467 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
MMP8 P22894 1/20 0.39
SLC6A2 P23975 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
OPRM1 P35372 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
SCHEMBL5307776 0.89 KCNN4 (0.53) RECQLCYP3A4CYP1A2MAPK1KCNN4
SCHEMBL12117952 0.80 KCNN4 (0.46) RECQLCYP3A4CYP1A2KCNN4LMNA
SCHEMBL12117540 0.80 KCNN4 (0.46) RECQLCYP3A4CYP1A2KCNN4LMNA
SCHEMBL5328364 0.80 LMNA (0.61) RECQLCYP3A4CYP1A2MAPK1KCNN4
Hydrochloric Acid SCHEMBL7273940 0.78 LMNA (0.59) RECQLCYP3A4CYP1A2MAPK1KCNN4
Methylamine SCHEMBL9879348 0.76 CTRB1 (0.41) RECQLCYP3A4CYP1A2MAPK1KCNN4
SCHEMBL31174124 0.75 RECQL (0.55) RECQLCYP3A4CYP1A2MAPK1LMNA
SCHEMBL1632109 0.74 SLC6A2 (0.52) RECQLCYP3A4CYP1A2MAPK1KCNN4
SCHEMBL14231962 0.74 KCNN4 (0.56) CYP1A2KCNN4CYP2D6TSHRHIF1A
SCHEMBL8745476 0.74 SLC6A2 (0.52) RECQLCYP3A4CYP1A2MAPK1KCNN4

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-1991011995-A1 ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES FISONS CORPORATION (US) 1991-08-22 WO disclosed