SCHEMBL7378554

SCHEMBL7378554

O=C(CCCCCCCN1CCCCC1)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.58
TSHR P16473 2/20 0.57
LMNA P02545 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ADRA1A P35348 3/20 0.56
KCNH2 Q12809 3/20 0.56
HTR1A P08908 2/20 0.56
ADRA2A P08913 2/20 0.56
DRD1 P21728 2/20 0.56
OPRM1 P35372 2/20 0.56
DRD3 P35462 2/20 0.56
HTT P42858 2/20 0.56
SLC6A3 Q01959 2/20 0.56
SLC6A4 P31645 1/20 0.56
CHRM2 P08172 2/20 0.55
ALDH1A1 P00352 4/20 0.54
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.54
THRB P10828 3/20 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
SCHEMBL7375822 1.00 HRH3 (0.58) HRH3TSHRLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL7375876 0.99 TSHR (0.60) HRH3TSHRLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL7376357 0.99 TSHR (0.60) HRH3TSHRLMNAMEN1KMT2A
SCHEMBL7375128 0.89 ALDH1A1 (0.59) HRH3LMNAMEN1KMT2AADRA1A
Hydrochloric Acid SCHEMBL7372372 0.88 ALDH1A1 (0.60) HRH3LMNAMEN1KMT2AHTT
Primaperone SCHEMBL310299 0.87 TSHR (0.74) HRH3TSHRMEN1KMT2AADRA1A
Primaperone SCHEMBL364809 0.85 TSHR (0.76) HRH3TSHRMEN1KMT2AADRA1A
SCHEMBL4496558 0.85 TSHR (0.76) HRH3TSHRMEN1KMT2AADRA1A
SCHEMBL14435454 0.83 ALDH1A1 (0.78) HRH3TSHRLMNAMEN1KMT2A
SCHEMBL492212 0.83 HRH3 (0.77) HRH3TSHRLMNAADRA1AKCNH2

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