SCHEMBL20140640

SCHEMBL20140640

Cc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1CO

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
PLA2G1B P04054 1/20 0.56
RAB9A P51151 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
DRD2 P14416 2/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52
HTR7 P34969 3/20 0.50
ATM Q13315 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL20140759 0.92 KDM4E (0.56) KDM4EALDH1A1PLA2G1BRAB9AATG4B
SCHEMBL20141745 0.84 DRD4 (0.49) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL20140202 0.81 HTR7 (0.55) KDM4EALDH1A1PLA2G1BRAB9AATG4B
SCHEMBL6865213 0.79 ALDH1A1 (0.67) KDM4EALDH1A1PLA2G1BRAB9AATG4B
SCHEMBL20140902 0.78 HTR7 (0.48) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL18177899 0.78 KDM4E (0.64) KDM4EALDH1A1PLA2G1BRAB9AATG4B
SCHEMBL2454168 0.78 DRD4 (0.63) KDM4EALDH1A1PLA2G1BRAB9AATG4B
SCHEMBL6029899 0.77 SIGMAR1 (0.68) KDM4EALDH1A1PLA2G1BRAB9AATG4B
SCHEMBL6864941 0.77 DRD4 (0.81) KDM4EALDH1A1PLA2G1BRAB9AATG4B
SCHEMBL7108073 0.76 DRD2 (0.58) DRD2DRD4DRD3HTR7

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