SCHEMBL7038485

SCHEMBL7038485

C[C@](CN)(NC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@@](C)(CN)NC(=O)Cc3c[nH]c4ccccc34)cc2)c2ccc(NC(=O)[C@@](C)(CN)NC(=O)Cc3c[nH]c4ccccc34)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.48
ANO1 Q5XXA6 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 4/20 0.46
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
CCKBR P32239 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK8 P45983 1/20 0.43
HDAC1 Q13547 2/20 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
SCHEMBL7208646 0.88 L3MBTL1 (0.47) HRH3ANO1ALDH1A1MAPTCYP1A2
SCHEMBL6287967 0.83 ALDH1A1 (0.47) HRH3ANO1ALDH1A1MAPTCYP1A2
SCHEMBL6288012 0.82 ALDH1A1 (0.43) HRH3ANO1ALDH1A1MAPTCYP1A2
SCHEMBL6284051 0.82 TACR1 (0.53) MAPTHTTLMNA
SCHEMBL6287921 0.79 TACR1 (0.56) ALDH1A1MAPTHTT
SCHEMBL6287876 0.77 HRH3 (0.55) HRH3ALDH1A1MAPTPKMHTT
SCHEMBL6287787 0.77 L3MBTL1 (0.44) HRH3ALDH1A1MAPTCYP1A2POLB
SCHEMBL6287689 0.77 L3MBTL1 (0.44) HRH3ALDH1A1MAPTHTTL3MBTL1
SCHEMBL6287895 0.76 HRH3 (0.53) HRH3ALDH1A1MAPTCYP1A2POLB
SCHEMBL7207324 0.75 MC4R (0.43) HRH3ANO1ALDH1A1MAPTHTT

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-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP disclosed