SCHEMBL6821089

SCHEMBL6821089

O=C(c1ccc(N2CCC(Oc3ccccc3)CC2)nc1)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HTT P42858 1/20 0.58
USP30 Q70CQ3 2/20 0.57
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PRKAA2 P54646 2/20 0.55
KMT2A Q03164 4/20 0.50
HRH3 Q9Y5N1 2/20 0.50
ADRA1A P35348 1/20 0.49
MGLL Q99685 1/20 0.49
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL1806221 0.84 ALDH1A1 (0.58) ALDH1A1HTTKDM4EPOLBHPGD
SCHEMBL6824892 0.81 ALDH1A1 (0.51) ALDH1A1HTTKDM4EPOLBHPGD
Acetic Acid SCHEMBL6823867 0.81 ALDH1A1 (0.48) ALDH1A1HTTKDM4EPOLBHPGD
SCHEMBL6821107 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL6825336 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL6825013 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL7191986 0.79 ALDH1A1 (0.49) ALDH1A1HTTKDM4EPOLBHPGD
SCHEMBL6923726 0.79 ALDH1A1 (0.51) ALDH1A1HTTKDM4EPOLBHPGD
Acetic Acid SCHEMBL7169485 0.79 ALDH1A1 (0.48) ALDH1A1HTTKDM4EPOLBHPGD
SCHEMBL5210990 0.79 HRH3 (0.60) ALDH1A1KDM4EPOLBHPGDALOX15

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
WO-2004074278-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-09-02 WO disclosed