SCHEMBL5502185

SCHEMBL5502185

CC1CC(C)CN(CCCN2[C]N(CCCN3CCCCCC3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
MAOB P27338 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR7 P34969 2/20 0.32
NPC1 O15118 2/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 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
SCHEMBL5504002 0.98 HRH3 (0.39) HRH3USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5502428 0.95 HRH3 (0.37) HRH3USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5501796 0.88 ALDH1A1 (0.35) HRH3USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5508184 0.88 HRH3 (0.41) HRH3MAOBHTR7
SCHEMBL5505456 0.87 CSNK2A2 (0.33) HRH3USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5504838 0.87 SIGMAR1 (0.41) HRH3
SCHEMBL5506691 0.84 ALDH1A1 (0.32) HRH3USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5507629 0.83 LMNA (0.41) HRH3USP2SMN1; SMN2ALDH1A1POLB
SCHEMBL5502491 0.83 CXCR4 (0.39) HRH3USP2TSHRMAOB
SCHEMBL5508093 0.82 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