SCHEMBL5504002

SCHEMBL5504002

CC1CC(C)CN(CCCN2[C]N(CCCN3CCCC3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
MAOB P27338 1/20 0.33
HTR7 P34969 4/20 0.33
LMNA P02545 1/20 0.32
KMT2A Q03164 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
SCHEMBL5502185 0.98 HRH3 (0.41) HRH3USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5502428 0.97 HRH3 (0.37) HRH3USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5501796 0.90 ALDH1A1 (0.35) HRH3USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5508184 0.89 HRH3 (0.41) HRH3MAOBHTR7
SCHEMBL5504838 0.89 SIGMAR1 (0.41) HRH3
SCHEMBL5505456 0.89 CSNK2A2 (0.33) HRH3USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5506691 0.86 ALDH1A1 (0.32) HRH3USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5507629 0.84 LMNA (0.41) HRH3USP2SMN1; SMN2ALDH1A1POLB
SCHEMBL5502491 0.84 CXCR4 (0.39) HRH3USP2TSHRMAOB
SCHEMBL5508093 0.83 USP2 (0.34) HRH3USP2TSHRSMN1; SMN2ALDH1A1

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