SCHEMBL9808019

SCHEMBL9808019

Cc1nn2ccc3ccccc3c2nc1=NCCCN(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.36
DRD3 P35462 2/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
HCRTR1 O43613 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
SLC2A1 P11166 1/20 0.32
APOBEC3A P31941 1/20 0.32
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL9807868 0.83 GSK3B (0.38) RAB9ASMN1; SMN2HCRTR1TP53MAPT
SCHEMBL9807905 0.78 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2HCRTR1TP53MAPT
SCHEMBL9807926 0.69 GSK3B (0.41) MAPTMAPK1NPC1KMT2AKDM4E
SCHEMBL9807923 0.69 MAPT (0.41) RAB9ASMN1; SMN2HCRTR1TP53MAPT
SCHEMBL9808007 0.69 MAPT (0.41) RAB9ASMN1; SMN2CYP1A2HCRTR1TP53
SCHEMBL11757772 0.68 HTR1B (0.49) HTR1BDRD3RAB9ASMN1; SMN2CYP1A2
SCHEMBL12145408 0.68 ALDH1A1 (0.43) RAB9ASMN1; SMN2CYP1A2HCRTR1TP53
SCHEMBL11419712 0.62 JAK2 (0.45) RAB9ASMN1; SMN2MAPK1NPC1KMT2A
SCHEMBL10309392 0.61 PDE10A (0.55)
SCHEMBL11408772 0.60 PDE10A (0.40) RAB9ASMN1; SMN2HCRTR1TP53MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994448-A Analgesics, anesthetics, muscle relaxants EGIS GYOGYSZERGYAR (HU) 1991-02-19 US disclosed