SCHEMBL5502428

SCHEMBL5502428

C[C@@H]1C[C@H](C)CN(CCN2[C]N(CCCN3CCCC3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
MAOB P27338 1/20 0.32
HTR7 P34969 4/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL5504002 0.97 HRH3 (0.39) HRH3USP2TSHRALDH1A1SMN1; SMN2
SCHEMBL5502185 0.95 HRH3 (0.41) HRH3USP2TSHRALDH1A1SMN1; SMN2
SCHEMBL5501796 0.94 ALDH1A1 (0.35) HRH3USP2TSHRALDH1A1SMN1; SMN2
SCHEMBL5506691 0.89 ALDH1A1 (0.32) HRH3USP2TSHRALDH1A1SMN1; SMN2
SCHEMBL5507629 0.88 LMNA (0.41) HRH3USP2ALDH1A1SMN1; SMN2POLB
SCHEMBL5508184 0.86 HRH3 (0.41) HRH3MAOBHTR7
SCHEMBL5504838 0.86 SIGMAR1 (0.41) HRH3KDM4E
SCHEMBL5505456 0.86 CSNK2A2 (0.33) HRH3USP2TSHRALDH1A1SMN1; SMN2
SCHEMBL5504837 0.83 HRH3 (0.33) HRH3USP2TSHR
SCHEMBL5508026 0.81 MAOA (0.38) HRH3ALDH1A1SMN1; SMN2POLBTHRB

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