SCHEMBL8022873

SCHEMBL8022873

c1ccc(CNCCNCCCCCCCNCCNCc2ccccc2)cc1

nearest known ligand 0.95

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.95
MAOA P21397 1/20 0.91
MEN1 O00255 1/20 0.77
KMT2A Q03164 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
SIGMAR1 Q99720 7/20 0.77
HDAC3 O15379 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
NCOR2 Q9Y618 1/20 0.61
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59

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
SCHEMBL8010516 1.00 CHRM2 (0.95) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL8010497 1.00 CHRM2 (0.95) CHRM2MAOAMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL8021494 0.98 CHRM2 (0.91) CHRM2MAOAMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL8020830 0.98 CHRM2 (0.91) CHRM2MAOAMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL8025354 0.98 CHRM2 (0.91) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL8021930 0.98 CHRM2 (1.00) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL3041221 0.98 CHRM2 (1.00) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL8021157 0.98 CHRM2 (1.00) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL8025398 0.95 CHRM2 (0.95) CHRM2MAOAMEN1KMT2ATDP1
SCHEMBL7015048 0.95 CHRM2 (0.95) CHRM2MAOAMEN1KMT2ATDP1

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
US-6114394-A Polyamine derivatives as radioprotective agents MERRELL PHARMACEUTICALS INC. (US) 2000-09-05 US disclosed