SCHEMBL5502432

SCHEMBL5502432

CC1CC(C)CN(CCN2CCN(CCCN3CCCC3)C2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
MAOB P27338 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
HTR7 P34969 3/20 0.34

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
SCHEMBL5504004 0.98 HRH3 (0.41) HRH3USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5502187 0.96 HRH3 (0.44) HRH3USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5501800 0.93 ALDH1A1 (0.39) HRH3USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5506694 0.89 PAOX (0.36) HRH3USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5505457 0.87 PAOX (0.37) HRH3USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5507633 0.86 KDM4E (0.45) HRH3USP2SMN1; SMN2ALDH1A1POLB
SCHEMBL5508190 0.86 HRH3 (0.44) HRH3MAOBKDM4EHTR7
SCHEMBL5504843 0.86 SIGMAR1 (0.44) HRH3POLBKDM4E
SCHEMBL5502494 0.81 CXCR4 (0.42) HRH3USP2TSHRMAOB
SCHEMBL5501716 0.81 HRH3 (0.36) HRH3USP2TSHR

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