SCHEMBL20141640

SCHEMBL20141640

COCN(CCCc1ccccc1N1CCNCC1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.40
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 2/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
ADRB1 P08588 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR3A P46098 1/20 0.39
HTR6 P50406 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MLNR O43193 3/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL20142226 0.88 BRPF1 (0.35) DRD2ADRB1LMNA
SCHEMBL20157167 0.85 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL20141638 0.80 HTR1A (0.41) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL20139826 0.78 TAAR1 (0.40) CYP2C19HTR2AHTR2C
SCHEMBL20157160 0.76 DRD2 (0.53) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL6809963 0.75 MC4R (0.42) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL8370464 0.74 HTR1A (0.54) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL20139352 0.74 MTOR (0.41) HTR1ALMNAMAPTHTR7
SCHEMBL22421882 0.71 MEN1 (0.49) LMNA
SCHEMBL6990507 0.71 DRD2 (0.48) HTR1ASLC6A2SLC6A4SLC6A3DRD2

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 3 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
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed