SCHEMBL7036792

SCHEMBL7036792

C[C@](N)(NC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(COC(=O)C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.51
ALDH1A1 P00352 3/20 0.46
TACR1 P25103 4/20 0.44
MAPK8 P45983 1/20 0.43
PKM P14618 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
ANO1 Q5XXA6 1/20 0.43
GOT1 P17174 1/20 0.42

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
SCHEMBL6290375 0.86 HRH3 (0.46) HRH3ALDH1A1MAPK8PKMMAPT
SCHEMBL6288012 0.76 ALDH1A1 (0.43) HRH3ALDH1A1PKMMAPTCYP1A2
SCHEMBL6287921 0.75 TACR1 (0.56) ALDH1A1TACR1MAPTHTT
SCHEMBL7037700 0.73 MAPT (0.49) HRH3ALDH1A1PKMMAPTKMT2A
SCHEMBL6284051 0.72 TACR1 (0.53) TACR1MAPTHTT
SCHEMBL6287370 0.72 ANO1 (0.46) HRH3ALDH1A1PKMMAPTCYP1A2
SCHEMBL6287905 0.72 ANO1 (0.45) HRH3ALDH1A1PKMMAPTCYP1A2
SCHEMBL6287967 0.71 ALDH1A1 (0.47) HRH3ALDH1A1TACR1PKMMAPT
SCHEMBL18229446 0.71 GOT1 (0.70) HRH3ALDH1A1MAPTKMT2AHTT
SCHEMBL7038485 0.70 HRH3 (0.48) HRH3ALDH1A1MAPK8PKMMAPT

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