SCHEMBL8024796

SCHEMBL8024796

c1ccc(CNCCCNCCCCNCCCNCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.91
MAOA P21397 1/20 0.86
SIGMAR1 Q99720 7/20 0.76
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
HDAC3 O15379 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
NCOR2 Q9Y618 2/20 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
SCHEMBL8025398 0.98 CHRM2 (0.95) CHRM2MAOASIGMAR1MEN1KMT2A
SCHEMBL8025340 0.98 CHRM2 (0.95) CHRM2MAOASIGMAR1MEN1KMT2A
SCHEMBL7015048 0.98 CHRM2 (0.95) CHRM2MAOASIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL8024995 0.98 CHRM2 (0.87) CHRM2MAOASIGMAR1MEN1KMT2A
SCHEMBL2639857 0.98 CHRM2 (0.95) CHRM2MAOASIGMAR1MEN1KMT2A
SCHEMBL8023026 0.98 CHRM2 (0.86) CHRM2MAOASIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL8027321 0.96 CHRM2 (0.91) CHRM2MAOASIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL8528029 0.96 CHRM2 (0.91) CHRM2MAOASIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL8526403 0.96 CHRM2 (0.91) CHRM2MAOASIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL8529093 0.96 CHRM2 (0.91) CHRM2MAOASIGMAR1MEN1KMT2A

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
US-6114394-A Polyamine derivatives as radioprotective agents MERRELL PHARMACEUTICALS INC. (US) 2000-09-05 US disclosed
EP-0277635-A2 Novel polyamine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-10 EP disclosed