SCHEMBL7094424

SCHEMBL7094424

O=C(NC1CCc2[nH]cnc2C1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
BTK Q06187 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRA1A P35348 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
RB1 P06400 1/20 0.41
NAMPT P43490 1/20 0.40
EZH2 Q15910 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39
AKT1 P31749 1/20 0.39
CKS1B P61024 1/20 0.39

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
SCHEMBL6850768 0.88 MEN1 (0.44) MEN1KMT2ANPC1RAB9AADRA1A
Hydrochloric Acid SCHEMBL6851386 0.86 MEN1 (0.43) MEN1KMT2ANPC1RAB9AADRA1A
SCHEMBL6851396 0.82 MCHR1 (0.46) NPC1RAB9A
SCHEMBL6851308 0.81 KDM4E (0.45) MTNR1AMTNR1BMEN1KMT2ARAB9A
SCHEMBL6849595 0.78 MAPT (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6850905 0.77 HTR3A (0.48) SMN1; SMN2ADRA1A
SCHEMBL7099342 0.76 JAK3 (0.39) BTKADRA1ASMYD3
Hydrochloric Acid SCHEMBL7094979 0.76 EZH2 (0.40) MTNR1AMTNR1BMEN1KMT2ANPC1
SCHEMBL9731843 0.75 MTNR1A (0.67) MTNR1AMTNR1BMEN1KMT2ANPC1
SCHEMBL9617114 0.74 POLB (0.52) MTNR1AMTNR1BMEN1KMT2ASMN1; SMN2

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-1268484-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 WO disclosed