SCHEMBL7356394

SCHEMBL7356394

O=C1c2ccccc2C(=O)N1CCC(Oc1cccc(I)c1)c1ccc(I)cc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 4/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
ADAM17 P78536 1/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
CREBBP Q92793 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL7352732 0.92 RAB9A (0.46) L3MBTL1RAB9AKMT2ATDP1NPC1
SCHEMBL7351114 0.87 L3MBTL1 (0.42) L3MBTL1RAB9AKMT2ATDP1NPC1
SCHEMBL7356365 0.85 POLB (0.34) KMT2AMAPTALDH1A1POLBMEN1
SCHEMBL7349866 0.85 L3MBTL1 (0.41) L3MBTL1RAB9AKMT2ATDP1NPC1
SCHEMBL7352863 0.83 ALDH1A1 (0.48) L3MBTL1RAB9AKMT2ATDP1NPC1
SCHEMBL7357633 0.81 HTR1A (0.34) KMT2AHSD17B10MEN1
SCHEMBL7353033 0.80 SLC6A4 (0.36)
SCHEMBL7352509 0.79 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2MAPTHSD17B10
SCHEMBL7346830 0.78 SLC6A4 (0.39) SMN1; SMN2ALDH1A1TSHR
SCHEMBL7356312 0.78 ALDH1A1 (0.41) RAB9AKMT2ANPC1SMN1; SMN2MAPT

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