SCHEMBL8314566

SCHEMBL8314566

O=C(CN1CCC(CCc2ccc(F)cc2)CC1)Nc1nc2ccccc2s1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC27A1 Q6PCB7 1/20 0.67
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
HTT P42858 1/20 0.49
CSNK1D P48730 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL8311773 0.82 NPC1 (0.50) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL3393276 0.79 SLC27A1 (0.74) SLC27A1MEN1KMT2ANPC1RAB9A
SCHEMBL17287636 0.76 CSNK1D (0.80) SLC27A1MEN1KMT2ANPC1RAB9A
SCHEMBL6864740 0.75 SLC27A1 (0.67) SLC27A1SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5327560 0.75 SLC27A1 (0.66) SLC27A1MEN1KMT2ANPC1RAB9A
SCHEMBL11255823 0.73 HPGD (0.55) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL27909367 0.73 SLC27A1 (0.61) SLC27A1MEN1KMT2ANPC1RAB9A
SCHEMBL7522067 0.73 SLC27A1 (0.84) SLC27A1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4806814 0.73 SLC27A1 (0.63) SLC27A1MEN1KMT2A
SCHEMBL8358629 0.73 SLC27A1 (0.63) SLC27A1MEN1KMT2A

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-0929550-A1 $i(N)-(BENZOTHIAZOL-2-YL) PIPERIDINE-1-ETHANAMINE DERIVATIVES, THEIR PREPARATION AND APPLICATION IN THERAPEUTICS SYNTHELABO (FR) 1999-07-21 EP disclosed
WO-1998014444-A1 N-(BENZOTHIAZOL-2-YL) PIPERIDINE-1-ETHANAMINE DERIVATIVES, THEIR PREPARATION AND APPLICATION IN THERAPEUTICS SYNTHELABO (FR) 1998-04-09 WO disclosed