SCHEMBL13709223

SCHEMBL13709223

CCN1CCCc2cccc(N=O)c21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CES1 P23141 2/20 0.38
HTR1A P08908 1/20 0.36
CYP19A1 P11511 2/20 0.35
POLB P06746 1/20 0.35
HTR2C P28335 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
INMT O95050 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 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
SCHEMBL13709189 0.86 ALDH1A1 (0.43) HRH3ALOX12ALDH1A1MEN1KMT2A
SCHEMBL9015889 0.82 ALOX12 (0.41) HRH3ALOX12ALDH1A1MEN1KMT2A
SCHEMBL9015996 0.80 ALOX12 (0.50) HRH3ALOX12ALDH1A1MEN1KMT2A
SCHEMBL19603145 0.80 HRH3 (0.51) HRH3ALOX12ALDH1A1MEN1KMT2A
SCHEMBL11842202 0.76 HRH3 (0.51) HRH3ALOX12ALDH1A1MEN1KMT2A
SCHEMBL27158578 0.76 HRH3 (0.51) HRH3ALOX12ALDH1A1MEN1KMT2A
SCHEMBL30487782 0.76 HRH3 (0.48) HRH3ALOX12ALDH1A1MEN1KMT2A
SCHEMBL20769599 0.76 HRH3 (0.48) HRH3ALOX12ALDH1A1MEN1KMT2A
SCHEMBL29977549 0.75 HRH3 (0.50) HRH3ALOX12ALDH1A1MEN1KMT2A
SCHEMBL27158593 0.75 HRH3 (0.50) HRH3ALOX12ALDH1A1MEN1KMT2A

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-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed