SCHEMBL8552703

SCHEMBL8552703

CNC1(CCCOc2ccc(F)cc2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
FAAH O00519 2/20 0.40
PLA2G7 Q13093 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL8865813 0.74 DRD2 (0.46) DRD2DRD4DRD3USP2ALDH1A1
SCHEMBL5238412 0.68 SSTR5 (0.39) DRD2DRD3PLA2G7LMNA
SCHEMBL10338308 0.68 MEN1 (0.60) DRD2DRD4DRD3USP2ALDH1A1
SCHEMBL16809146 0.68 HTR1B (0.66) DRD2DRD4DRD3USP2ALDH1A1
SCHEMBL8866372 0.67 PLA2G7 (0.40) FAAHPLA2G7MEN1HTTKMT2A
SCHEMBL8329060 0.67 MEN1 (0.45) DRD2DRD4DRD3USP2ALDH1A1
SCHEMBL5753026 0.67 HRH1 (0.65) DRD2DRD3USP2ALDH1A1HPGD
SCHEMBL4270834 0.66 TSHR (0.64) DRD2DRD4DRD3USP2ALDH1A1
Hydrochloric Acid SCHEMBL8865807 0.66 PLA2G7 (0.38) DRD2DRD3USP2ALDH1A1HPGD
SCHEMBL8484170 0.66 HTR1A (0.54) DRD2DRD3

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
EP-0842174-A1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PIERRE FABRE MEDICAMENT (FR) 1998-05-20 EP disclosed
WO-1997005134-A1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PIERRE FABRE MEDICAMENT (FR) 1997-02-13 WO disclosed