SCHEMBL7370368

SCHEMBL7370368

CNCCCCCCCOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.77
HTR1B P28222 2/20 0.64
RAB9A P51151 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
NPC1 O15118 3/20 0.59
KDM4E B2RXH2 2/20 0.59
LMNA P02545 2/20 0.59
LTA4H P09960 1/20 0.59
HTT P42858 1/20 0.58
SLC2A1 P11166 1/20 0.56
HTR1D P28221 1/20 0.56
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 1/20 0.54
SIGMAR1 Q99720 1/20 0.54

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
Hydrochloric Acid SCHEMBL7372065 0.98 L3MBTL1 (0.74) L3MBTL1HTR1BRAB9AMEN1KMT2A
SCHEMBL10801216 0.93 HTR1B (0.73) L3MBTL1HTR1BRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL10801430 0.92 HTR1B (0.71) L3MBTL1HTR1BRAB9AMEN1KMT2A
SCHEMBL6850933 0.86 HTR1B (0.85) L3MBTL1HTR1BMEN1KMT2AKDM4E
SCHEMBL7036584 0.86 MGLL (0.67) L3MBTL1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL6849557 0.84 HTR1B (0.88) L3MBTL1HTR1BMEN1KMT2AKDM4E
SCHEMBL10875500 0.84 BCHE (0.70) L3MBTL1MEN1KMT2ALTA4HSIGMAR1
SCHEMBL10675449 0.83 L3MBTL1 (0.71) L3MBTL1HTR1BMEN1KMT2AKDM4E
SCHEMBL10818227 0.83 RAB9A (0.65) L3MBTL1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10818054 0.83 RAB9A (0.65) L3MBTL1RAB9AMEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724577-A1 HETEROCYCLIC AMINES FOR TREATING ISCHAEMIC STROKES SMITHKLINE BEECHAM PLC (GB) 1996-08-07 EP claimed
WO-1995011238-A1 HETEROCYCLIC AMINES FOR TREATING ISCHAEMIC STROKES SMITHKLINE BEECHAM PLC (GB) 1995-04-27 WO claimed
EP-0724577-A1 HETEROCYCLIC AMINES FOR TREATING ISCHAEMIC STROKES SMITHKLINE BEECHAM PLC (GB) 1996-08-07 EP disclosed
WO-1995011238-A1 HETEROCYCLIC AMINES FOR TREATING ISCHAEMIC STROKES SMITHKLINE BEECHAM PLC (GB) 1995-04-27 WO disclosed