SCHEMBL1729313

SCHEMBL1729313

O=C(O)NCCCN1CCCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.55
HDAC6 Q9UBN7 1/20 0.52
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.48
SLC6A7 Q99884 1/20 0.48
CHRM4 P08173 1/20 0.47
HTR1A P08908 4/20 0.47
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
ADRB1 P08588 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.44

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
SCHEMBL3265528 0.84 HDAC6 (0.47) PKMHDAC6KDM4EKMT2ASLC6A7
SCHEMBL2359980 0.80 CHRM4 (0.61) PKMHDAC6KDM4EKMT2ASLC6A7
SCHEMBL16480406 0.80 HDAC6 (0.51) PKMHDAC6KDM4ESLC6A7CHRM4
SCHEMBL1729003 0.79 PKM (0.48) PKMHDAC6KDM4EKMT2ASLC6A7
SCHEMBL9893124 0.78 HDAC6 (0.52) PKMHDAC6KDM4ESLC6A7CHRM4
SCHEMBL9891899 0.78 DRD2 (0.58) PKMHDAC6SLC6A7CHRM4HTR1A
SCHEMBL2324834 0.78 CHRM4 (0.68) PKMHDAC6KDM4EKMT2ASLC6A7
SCHEMBL3986386 0.78 ADRB1 (0.58) PKMHDAC6KDM4EKMT2ASLC6A7
SCHEMBL2326691 0.76 ADRB1 (0.48) PKMHDAC6KDM4EKMT2ASLC6A7
SCHEMBL28070992 0.76 ADRB1 (0.73) PKMHDAC6KDM4EKMT2ASLC6A7

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-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed