SCHEMBL8909086

SCHEMBL8909086

C[C@@H](N)COc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
SCN4A P35499 3/20 0.46
MAOA P21397 2/20 0.46
LMNA P02545 2/20 0.46
SCN1A P35498 2/20 0.46
SCN5A Q14524 2/20 0.46
SCN9A Q15858 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
KCNK3 O14649 1/20 0.46
CACNA1F O60840 1/20 0.46
KCNK2 O95069 1/20 0.46
GBA1 P04062 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL17947660 0.94 AAK1 (0.47) MAOBSCN4AMAOALMNASCN1A
SCHEMBL9633021 0.94 LTA4H (0.42) MAOBSCN4AMAOALMNASCN1A
SCHEMBL12306453 0.83 MAPT (0.47) MAOBMAOALMNACYP1A2CYP2D6
SCHEMBL19618912 0.81 SCN4A (0.52) MAOBSCN4AMAOALMNASCN1A
SCHEMBL5961837 0.81 NPC1 (0.46) MAOBLMNACYP1A2CYP2D6TSHR
SCHEMBL9479823 0.81 SCN4A (0.52) MAOBSCN4AMAOALMNASCN1A
SCHEMBL18295367 0.81 SCN4A (0.52) MAOBSCN4AMAOALMNASCN1A
SCHEMBL8682212 0.81 SLC6A4 (0.59) MAOBSCN4AMAOALMNASCN1A
SCHEMBL8682210 0.81 SLC6A4 (0.59) MAOBSCN4AMAOALMNASCN1A
SCHEMBL13343161 0.80 SLC6A4 (0.44) SCN4AMAOALMNASCN1ASCN5A

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
US-5672588-A Purine derivatives NOVO NORDISK A/S (DK) 1997-09-30 US disclosed
EP-0603348-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-06-29 EP disclosed
WO-1993023418-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO disclosed