SCHEMBL5326844

SCHEMBL5326844

C[C@@H](C(=O)O)c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.71
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
KCNH2 Q12809 3/20 0.64
HDAC1 Q13547 3/20 0.64
HDAC4 P56524 2/20 0.64
ADORA3 P0DMS8 2/20 0.59
CNR1 P21554 2/20 0.59
HRH1 P35367 2/20 0.59
OPRK1 P41145 2/20 0.59
GHSR Q92847 2/20 0.59
LMNA P02545 2/20 0.59
NR1I2 O75469 1/20 0.59
PDE4D Q08499 1/20 0.59
CYP3A4 P08684 2/20 0.55
USP2 O75604 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
HPN P05981 1/20 0.55

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
SCHEMBL8691241 0.82 ATM (0.76) ATMMEN1KMT2AKCNH2HDAC1
SCHEMBL2883579 0.82 HRH3 (0.56) LMNAHTR2AKDM4EALDH1A1HTT
SCHEMBL7311276 0.81 ATM (0.84) ATMMEN1KMT2AKCNH2HDAC1
Belarizine SCHEMBL2108057 0.80 ATM (0.73) ATMMEN1KMT2AKCNH2HDAC1
SCHEMBL16226642 0.80 ATM (0.68) ATMMEN1KMT2AKCNH2HDAC1
SCHEMBL12464946 0.80 KCNH2 (0.80) ATMMEN1KMT2AKCNH2HDAC1
SCHEMBL16226272 0.80 LMNA (0.70) ATMMEN1KMT2AKCNH2HDAC1
Hydrochloric Acid SCHEMBL16226937 0.80 ATM (0.82) ATMMEN1KMT2AKCNH2HDAC1
SCHEMBL8690003 0.80 ATM (0.67) ATMMEN1KMT2AKCNH2HDAC1
SCHEMBL8744969 0.80 ATM (0.67) ATMMEN1KMT2AKCNH2HDAC1

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-1276732-B1 AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION\ DOMPE PHA R MA SPA RES & MFG (IT) 2007-09-26 EP disclosed