SCHEMBL7191986

SCHEMBL7191986

Cc1cc(N)cnc1OC1CCN(c2ccc(C(=O)N3CCCC3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.46
ADRA1A P35348 2/20 0.46
PRKAA2 P54646 2/20 0.46
HRH3 Q9Y5N1 6/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL6826871 0.85 ALDH1A1 (0.49) ALDH1A1POLBKDM4EHPGDALOX15
Acetic Acid SCHEMBL6920042 0.81 HRH3 (0.39) PRKAA2HRH3
SCHEMBL6824182 0.81 ALDH1A1 (0.49) ALDH1A1POLBKDM4EHPGDALOX15
SCHEMBL7067860 0.81 HRH3 (0.52) ALDH1A1POLBKDM4EHPGDALOX15
SCHEMBL6821089 0.79 ALDH1A1 (0.58) ALDH1A1POLBKDM4EHPGDALOX15
SCHEMBL6824892 0.77 ALDH1A1 (0.51) ALDH1A1POLBKDM4EHPGDALOX15
SCHEMBL6923726 0.77 ALDH1A1 (0.51) ALDH1A1POLBKDM4EHPGDALOX15
Acetic Acid SCHEMBL7169485 0.76 ALDH1A1 (0.48) ALDH1A1POLBKDM4EHPGDALOX15
SCHEMBL6139577 0.74 ALDH1A1 (0.68) ALDH1A1POLBKDM4EHPGDALOX15
SCHEMBL6821107 0.74 ALDH1A1 (0.67) ALDH1A1POLBKDM4EHPGDALOX15

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