SCHEMBL8303720

SCHEMBL8303720

NNCCC(=O)NCc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.56
GAA P10253 1/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
CA2 P00918 3/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL17537295 0.86 KMT2A (0.57) MTNR1AGAAKMT2AMEN1MAPT
SCHEMBL5697805 0.83 MEN1 (0.57) MTNR1AGAAKMT2AMEN1MAPT
SCHEMBL13073769 0.81 KMT2A (0.59) MTNR1AGAAKMT2AMEN1MAPT
SCHEMBL13973365 0.81 CA2 (0.57) MTNR1AGAAKMT2AMEN1MAPT
SCHEMBL1291448 0.79 MEN1 (0.57) MTNR1AGAAKMT2AMEN1MAPT
SCHEMBL6647843 0.79 HTT (0.65) MTNR1AGAAKMT2AMEN1MAPT
SCHEMBL1284855 0.78 KMT2A (0.59) MTNR1AGAAKMT2AMEN1MAPT
SCHEMBL27548891 0.78 KMT2A (0.59) MTNR1AGAAKMT2AMEN1MAPT
SCHEMBL12672439 0.78 HDAC1 (0.56) GAAKMT2AMEN1MAPT
SCHEMBL25228818 0.78 SLC1A1 (0.54) MTNR1AGAAKMT2AMEN1MAPT

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
EP-0833633-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-03-24 EP disclosed
EP-0833633-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-08 EP disclosed