SCHEMBL20140775

SCHEMBL20140775

Cc1ccc(CN2CCC(c3ccccc3C#N)CC2)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.51
HRH2 P25021 3/20 0.45
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.42
FAAH O00519 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL20139895 0.86 DRD4 (0.46) DRD4MEN1KMT2AFAAH
SCHEMBL20157068 0.86 DRD4 (0.46) DRD4HTR2BMEN1KMT2AFAAH
SCHEMBL20140482 0.85 DRD4 (0.51) DRD4HRH2POLBMEN1KMT2A
SCHEMBL20139955 0.83 KDM4E (0.52) DRD4HTR2AATM
SCHEMBL20140777 0.80 DRD4 (0.43) DRD4MEN1KMT2A
SCHEMBL20141538 0.75 DRD4 (0.41) DRD4
SCHEMBL13164025 0.75 POLB (0.44) POLB
SCHEMBL20140336 0.74 MAPT (0.47) DRD4HTR2AHTR2BMEN1KMT2A
SCHEMBL8844191 0.74 ACHE (0.50) DRD4MEN1KMT2AACHE
SCHEMBL20141481 0.73 KDM4E (0.51) DRD4HTR2AATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed