SCHEMBL3401455

SCHEMBL3401455

CCN(CC)C(C)CCC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 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
SCHEMBL7141671 0.80 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL26004047 0.77 CHRNB2 (0.55) KMT2AALOX15BLMPMP22DPP4
SCHEMBL23771153 0.77 CHRNB2 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23771145 0.77 LMNA (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5988400 0.75 KMT2A (0.47) KMT2AALOX15BLMPMP22DPP4
SCHEMBL2244866 0.75 KMT2A (0.47) KMT2AALOX15BLMPMP22DPP4
SCHEMBL27774327 0.75 KMT2A (0.47) KMT2AALOX15BLMPMP22DPP4
SCHEMBL23771144 0.75 TSHR (0.46) KMT2ACHRNB2CHRNB4CHRNA4CHRNA3
SCHEMBL8418588 0.75 CHRNB2 (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25914501 0.75 MAOA (0.39) CHRNB2CHRNB4CHRNA4CHRNA3

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-2222162-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana Farber Cancer Institute (US) 2010-09-01 EP disclosed
WO-2009073153-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INSTITUTE (US) 2009-06-11 WO disclosed