SCHEMBL9208385

SCHEMBL9208385

CCCNC(Cc1ccccc1)(OC)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
LMNA P02545 1/20 0.40
SIGMAR1 Q99720 4/20 0.40
HTR1A P08908 1/20 0.39
SCN1A P35498 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SCN3A Q9NY46 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
SLC6A2 P23975 1/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
MMP8 P22894 1/20 0.36
TP53 P04637 1/20 0.35
CTSK P43235 2/20 0.35
ATM Q13315 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL11571905 0.81 LMNA (0.42) CYP2D6LMNATDP1TAAR1SLC6A2
SCHEMBL29648088 0.76 CYP2D6 (0.59) CYP2D6LMNASIGMAR1HTR1ASCN1A
SCHEMBL6497301 0.71 TSHR (0.43) CYP2D6LMNATAAR1SLC6A2ALDH1A1
SCHEMBL11328818 0.70 KCNN4 (0.44) CYP2D6LMNASIGMAR1HTR1ASCN1A
SCHEMBL4658121 0.70 ALDH1A1 (0.55) CYP2D6LMNATAAR1ALDH1A1RECQL
SCHEMBL9583515 0.70 SLC6A2 (0.46) CYP2D6LMNASIGMAR1HTR1ASCN1A
SCHEMBL7959025 0.69 MEN1 (0.57) LMNAPOLBALDH1A1
Hydrochloric Acid SCHEMBL9583860 0.69 SLC6A2 (0.44) CYP2D6LMNASIGMAR1TAAR1SLC6A2
SCHEMBL11252135 0.68 SMN1; SMN2 (0.40) CYP2D6LMNAHTR1ASCN1ASLC6A3
SCHEMBL5088767 0.68 SLC6A2 (0.50) CYP2D6LMNATAAR1SLC6A2ALDH1A1

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-0382618-B1 Aminoalkoxyphenyl derivatives, process for their preparation and compositions containing them SANOFI SA (FR) 1995-09-20 EP disclosed
EP-0382618-A2 Aminoalkoxyphenyl derivatives, process for their preparation and compositions containing them SANOFI (FR) 1990-08-16 EP disclosed