SCHEMBL8368017

SCHEMBL8368017

C1=C(c2cccc3ccccc23)CC(Cc2ccccc2)NC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.37
POLB P06746 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALPL P05186 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
DRD4 P21917 1/20 0.32

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
SCHEMBL7562364 0.81 CYP11B1 (0.35) POLBKDM4EGAAMEN1KMT2A
SCHEMBL7560334 0.81 POLB (0.39) POLBMEN1KMT2A
SCHEMBL5265951 0.78 POLB (0.44) POLBMEN1KMT2A
SCHEMBL4078455 0.75 KDR (0.44) KDM4E
SCHEMBL8312119 0.73 POLB (0.40) POLBMEN1KMT2AALDH1A1
SCHEMBL9051187 0.73 CHRM2 (0.38) POLBSLC6A2SLC6A4
SCHEMBL6961333 0.72 POLB (0.39) POLBMEN1KMT2A
SCHEMBL7444323 0.72 POLB (0.41) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL5543765 0.72 POLB (0.39) POLBMEN1KMT2A
SCHEMBL7562738 0.72 POLB (0.36) POLBSLC6A2MEN1KMT2AALDH1A1

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-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed