SCHEMBL8350404

SCHEMBL8350404

S=c1[nH]c2cccc(OCCN3CCc4ccccc4C3)c2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.52
HTR1A P08908 3/20 0.50
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
DRD4 P21917 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ABCB1 P08183 1/20 0.48
ATM Q13315 1/20 0.47
HTR5A P47898 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL8528193 0.86 DAO (0.50) HTR1AMAPTMEN1KMT2AMAPK1
SCHEMBL7341749 0.86 MEN1 (0.48) HTR1AMAPTMEN1KMT2AMAPK1
SCHEMBL14507268 0.76 DRD2 (0.47) GNRHRHTR1ADRD2DRD3DRD4
SCHEMBL7333842 0.73 L3MBTL1 (0.54) HTR1AMAPTMEN1KMT2AMAPK1
SCHEMBL8136894 0.73 GNRHR (0.66) GNRHRHTR1AMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8133412 0.72 GNRHR (0.64) GNRHRHTR1AMAPTMEN1KMT2A
SCHEMBL5524088 0.72 GNRHR (0.64) GNRHRHTR1ADRD2DRD3DRD4
SCHEMBL8449827 0.70 DRD2 (0.59) GNRHRHTR1AMAPTMAPK1SMN1; SMN2
SCHEMBL7253798 0.70 L3MBTL1 (0.71) HTR1AMAPTMEN1KMT2APOLB
SCHEMBL5503629 0.70 GNRHR (0.54) GNRHRHTR1ADRD2DRD3DRD4

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
EP-0964854-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-THIONES DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-22 EP claimed
WO-1998035947-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-THIONES DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO claimed
EP-0964854-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-THIONES DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-22 EP disclosed
US-5972958-A 4-aminoalkoxy-1,3-dihydro-benzoimidazol-2-thiones AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-26 US disclosed
WO-1998035947-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-THIONES DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed