SCHEMBL10691676

SCHEMBL10691676

COc1ccc(C2CCN(c3ccc(OC)cc3)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.60
ROCK2 O75116 5/20 0.53
ALDH1A1 P00352 6/20 0.50
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
HSD11B1 P28845 1/20 0.45
MAPT P10636 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL7351360 0.93 HTR2C (0.56) HTR2CROCK2ALDH1A1MEN1KMT2A
SCHEMBL2800406 0.84 POLB (0.50) HTR2CALDH1A1DDB1CRBNMEN1
SCHEMBL8494181 0.84 POLB (0.50) HTR2CALDH1A1DDB1CRBNMEN1
SCHEMBL13410161 0.82 ROCK2 (0.49) HTR2CROCK2ALDH1A1MEN1KMT2A
SCHEMBL19327276 0.81 ROCK2 (0.48) HTR2CROCK2ALDH1A1MEN1KMT2A
SCHEMBL22365570 0.81 ROCK2 (0.48) HTR2CROCK2ALDH1A1MEN1KMT2A
SCHEMBL17079983 0.80 ROCK2 (0.61) HTR2CROCK2ALDH1A1HSD11B1MAPT
SCHEMBL19858927 0.79 DDB1 (0.48) HTR2CALDH1A1DDB1CRBNMEN1
SCHEMBL14301511 0.79 ROCK2 (0.47) HTR2CROCK2ALDH1A1MEN1KMT2A
SCHEMBL22365585 0.77 ROCK2 (0.47) HTR2CROCK2ALDH1A1MEN1KMT2A

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-0270093-A2 Lactam derivatives, processes for the preparation thereof, pharmaceutical compositions comprising the same, and the use of such derivatives for the manufacture of a medicament having valuable therapeutic properties TANABE SEIYAKU CO., LTD. (JP) 1988-06-08 EP disclosed