SCHEMBL5508093

SCHEMBL5508093

CC1CC(C)CN(CCCN2[C]N(CCCN3C(C)CCCC3C)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH3 Q9Y5N1 3/20 0.30
MAOB P27338 2/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
CACNA2D1 P54289 1/20 0.30

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
SCHEMBL5502044 0.84 HRH3 (0.35) USP2TSHRALDH1A1POLBTHRB
SCHEMBL5508097 0.84 USP2 (0.36) USP2TSHRALDH1A1POLBTHRB
SCHEMBL5502491 0.83 CXCR4 (0.39) USP2TSHRHRH3MAOBHRH2
SCHEMBL5504002 0.83 HRH3 (0.39) USP2TSHRALDH1A1POLBTHRB
SCHEMBL5501796 0.83 ALDH1A1 (0.35) USP2TSHRALDH1A1POLBTHRB
SCHEMBL5508184 0.82 HRH3 (0.41) HRH3MAOBHRH2HRH1
SCHEMBL5502185 0.82 HRH3 (0.41) USP2TSHRALDH1A1POLBTHRB
SCHEMBL5504838 0.82 SIGMAR1 (0.41) HRH3
SCHEMBL5502428 0.81 HRH3 (0.37) USP2TSHRALDH1A1POLBTHRB
SCHEMBL5501715 0.81 HRH3 (0.34) HRH3

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