SCHEMBL23940686

SCHEMBL23940686

CC(CCCc1cc(F)ccc1O)CCNCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPO P05164 13/20 0.52
SLC6A4 P31645 3/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRA1D P25100 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL19174208 0.83 MPO (0.63) MPOSLC6A4
SCHEMBL6857021 0.81 MPO (0.48) MPOSLC6A4MEN1KMT2AKDM4E
SCHEMBL17714001 0.78 MPO (0.57) MPOSLC6A4MEN1KMT2AKDM4E
SCHEMBL20006876 0.76 KCNH2 (0.38) MPOADRB2
SCHEMBL19739064 0.72 MEN1 (0.52) MPOMEN1KMT2AALDH1A1GAA
SCHEMBL4610835 0.71 MEN1 (0.53) MPOMEN1KMT2AGAA
SCHEMBL18255049 0.71 MPO (0.41) MPOSLC6A4MEN1KMT2AKDM4E
SCHEMBL8429903 0.70 ALOX15 (0.46) MPOMEN1KMT2AKDM4E
SCHEMBL16204644 0.69 MEN1 (0.55) MEN1KMT2AGAA
SCHEMBL20347684 0.68 MEN1 (0.57) MEN1KMT2AGAA

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
EP-3299364-B1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) 2021-10-20 EP disclosed