SCHEMBL7348152

SCHEMBL7348152

Fc1cc(Br)ccc1C(CCNCc1ccccc1)Oc1cccc(I)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.40
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
DRD4 P21917 2/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
DRD3 P35462 1/20 0.34
FOLH1 Q04609 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
SCHEMBL7346492 0.92 SLC6A4 (0.42) SLC6A4MEN1KMT2AKDM4EDRD4
SCHEMBL7347171 0.86 SLC6A4 (0.42) SLC6A4MEN1KMT2AKDM4ELMNA
SCHEMBL7348229 0.83 SLC6A4 (0.43) SLC6A4MEN1KMT2AKDM4ELMNA
SCHEMBL7345316 0.82 NPC1 (0.34) SLC6A4NPC1LMNANFKB1RAB9A
SCHEMBL7346888 0.81 NPC1 (0.40) SLC6A4NPC1LMNANFKB1RAB9A
SCHEMBL7348505 0.80 MEN1 (0.53) SLC6A4MEN1KMT2AKDM4ELMNA
SCHEMBL7354019 0.76 SLC6A4 (0.42) SLC6A4MEN1KMT2AKDM4ENPC1
SCHEMBL7352732 0.76 RAB9A (0.46) KMT2ANPC1LMNANFKB1RAB9A
SCHEMBL7356312 0.74 ALDH1A1 (0.41) MEN1KMT2ANPC1LMNANFKB1
SCHEMBL7351720 0.74 KMT2A (0.41) SLC6A4MEN1KMT2AKDM4ENPC1

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