SCHEMBL28697724

SCHEMBL28697724

O=C1CCC(c2ccc(NC(=O)OCc3ccccc3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.62
MAOA P21397 3/20 0.62
MAOB P27338 2/20 0.62
RCOR1 Q9UKL0 4/20 0.61
HRH3 Q9Y5N1 2/20 0.56
POLB P06746 1/20 0.54
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.51
KDM1B Q8NB78 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
ROCK2 O75116 1/20 0.49

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
SCHEMBL2635237 0.93 KDM1A (0.60) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL3545211 0.83 KDM1A (0.60) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL3545210 0.83 KDM1A (0.60) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL13009519 0.82 ROCK2 (0.50) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL7985522 0.82 KDM1A (0.59) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL13009693 0.82 NPC1 (0.45) KDM1AMAOAMAOBRCOR1NPC1
SCHEMBL2635332 0.81 KDM1A (0.65) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL2635334 0.81 KDM1A (0.65) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL2635331 0.81 KDM1A (0.65) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL13009665 0.80 KDM1A (0.57) KDM1AMAOAMAOBRCOR1HRH3

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
CN-109952300-B 5-or 8-substituted imidazo [1,5-a ] pyridines 百济神州有限公司 2022-01-18 CN disclosed