SCHEMBL7348229

SCHEMBL7348229

Fc1ccc(C(CCNCc2ccccc2)Oc2cccc(I)c2)c(I)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
GPR35 Q9HC97 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
DRD4 P21917 2/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL7347171 0.90 SLC6A4 (0.42) SLC6A4MEN1KMT2ALTA4HEPHX2
SCHEMBL7346492 0.87 SLC6A4 (0.42) SLC6A4MEN1KMT2ALTA4HEPHX2
SCHEMBL7348505 0.86 MEN1 (0.53) SLC6A4MEN1KMT2ALTA4HEPHX2
SCHEMBL7348152 0.83 SLC6A4 (0.40) SLC6A4MEN1KMT2AKDM4ELMNA
SCHEMBL7351618 0.81 SLC1A5 (0.39) SLC6A4KMT2AALDH1A1HTTPPARG
SCHEMBL7354129 0.79 SLC6A4 (0.36) SLC6A4MEN1KMT2APPARGPPARA
SCHEMBL7344633 0.79 SLC6A4 (0.36) SLC6A4PPARGPPARA
SCHEMBL7345491 0.76 MEN1 (0.44) SLC6A4MEN1KMT2ALTA4HEPHX2
SCHEMBL7346137 0.75 SLC6A4 (0.39) SLC6A4LTA4HDRD2
SCHEMBL7351114 0.74 L3MBTL1 (0.42) KMT2AALDH1A1POLB

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-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP claimed
EP-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP disclosed