SCHEMBL5505487

SCHEMBL5505487

CC(C)N1CCC(N2CCN(CCC3CCCN3C)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRA2A P08913 1/20 0.32

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
SCHEMBL5505363 0.76 HRH3 (0.36)
SCHEMBL5505366 0.76 HRH3 (0.36)
SCHEMBL5500648 0.75 SMN1; SMN2 (0.49) KMT2AALDH1A1
SCHEMBL5501533 0.74 HRH3 (0.33) LMNA
SCHEMBL5507425 0.73 HPGD (0.43) CYP1A2MEN1MAPTKMT2AALDH1A1
SCHEMBL5505485 0.72 CYP1A2 (0.38) CYP1A2ALDH1A1ADRA2A
SCHEMBL5502129 0.69 SIGMAR1 (0.41) LMNAMEN1MAPTKMT2AALDH1A1
SCHEMBL21637768 0.69 CYP1A2 (0.69) CYP1A2ALDH1A1ADRA2A
SCHEMBL5504819 0.68 NSD2 (0.36) LMNAMEN1MAPTKMT2A
SCHEMBL26171317 0.68 SMN1; SMN2 (0.41) LMNAMEN1MAPTKMT2AALDH1A1

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-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed