SCHEMBL10727445

SCHEMBL10727445

CC(=O)CCc1ccc2ncc3ccccc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
GPR3 P46089 1/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
RAB9A P51151 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL11292855 0.81 KDM4E (0.53) KDM4EGPR3CYP1A2CYP2D6CYP2C19
SCHEMBL8574548 0.78 KDM4E (0.56) KDM4EGPR3CYP1A2CYP3A4ALDH1A1
Bromide SCHEMBL5777889 0.77 KDM4E (0.55) KDM4EGPR3CYP1A2CYP3A4ALDH1A1
SCHEMBL13696902 0.76 ALDH1A1 (0.49) KDM4ECYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL5363783 0.74 DAO (0.51) KDM4ECYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL861279 0.74 KDM4E (0.51) KDM4EGPR3CYP1A2CYP3A4MAPT
SCHEMBL5236795 0.73 CYP1A2 (0.68) KDM4ECYP1A2CYP2C19CYP3A4HIF1A
Phenanthridine SCHEMBL11355234 0.73 KDM4E (0.74) KDM4EGPR3CYP3A4ALDH1A1MAPT
SCHEMBL27908893 0.72 KDM4E (0.56) KDM4EGPR3CYP3A4ALDH1A1MAPT
SCHEMBL9053551 0.71 KDM4E (0.55) KDM4EGPR3ALDH1A1MAPTTP53

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
US-4689326-A DIBENZOHOMOPIPERIDINE OR AMIDE OR IMIDE ANALOG RESEARCH CORPORATION (US) 1987-08-25 US disclosed