SCHEMBL6585849

SCHEMBL6585849

CC(=O)OC1CCOc2c(NC3CCNCC3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.40
ATAD2 Q6PL18 3/20 0.40
PIM1 P11309 4/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
TRPV1 Q8NER1 5/20 0.33
NSD2 O96028 1/20 0.32
CHRM3 P20309 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
HTR6 P50406 1/20 0.31

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
SCHEMBL8485654 0.74 POLB (0.36)
SCHEMBL8478242 0.71 POLB (0.41)
SCHEMBL6587685 0.70 ADRB1 (0.47) BRD4ATAD2PIM1PIM3PIM2
SCHEMBL6583557 0.69 SLC6A2 (0.41) BRD4ATAD2PIM1PIM3PIM2
SCHEMBL9785817 0.69 POLB (0.44) TRPV1
SCHEMBL30812977 0.69 POLB (0.44) TRPV1
SCHEMBL6585844 0.67 TRPV1 (0.36) PIM1PIM3PIM2TRPV1
SCHEMBL6585032 0.67 BRD4 (0.39) BRD4ATAD2PIM1PIM3PIM2
SCHEMBL30168994 0.66 P2RX7 (0.46)
SCHEMBL6583942 0.65 NOTUM (0.36) TRPV1

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-0861837-B1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-04-28 EP disclosed
EP-0861837-A1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-02 EP disclosed