SCHEMBL7971497

SCHEMBL7971497

O=C(Nc1cccc(C(F)(F)F)c1)OCCCc1c[nH]cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
EPHX2 P34913 1/20 0.45
NPC1 O15118 1/20 0.44
MET P08581 1/20 0.44
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL8795678 0.89 SLC13A3 (0.49) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL7960977 0.87 NPC1 (0.43) MAPTSMN1; SMN2EPHX2NPC1RAB9A
SCHEMBL7977123 0.84 RAB9A (0.45) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL7961372 0.83 NPC1 (0.62) MEN1KMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL4387581 0.83 RAB9A (0.63) MAPTMEN1KMT2ASMN1; SMN2LMNA
Oxalic Acid SCHEMBL7990904 0.81 RXFP1 (0.43) MAPTMEN1KMT2AGAAXBP1
SCHEMBL7961200 0.80 EPHX2 (0.52) MAPTMEN1KMT2AXBP1NPSR1
SCHEMBL4380977 0.79 CTSC (0.43) MAPTGAASMN1; SMN2LMNA
Oxalic Acid SCHEMBL7990786 0.79 KDM4E (0.52) KMT2AGAALMNAHTTALDH1A1
SCHEMBL7971223 0.78 MEN1 (0.52) MAPTMEN1KMT2AGAASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US claimed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US claimed
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US disclosed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed