SCHEMBL6983235

SCHEMBL6983235

Fc1ccc(-c2nc(S)ncc2CCN2CCC(=Cc3ccccc3F)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 4/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
HTR1A P08908 2/20 0.33
PRCP P42785 2/20 0.32
PARP1 P09874 1/20 0.32
KCNH2 Q12809 1/20 0.32
DRD4 P21917 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
DRD3 P35462 1/20 0.32
SCN9A Q15858 1/20 0.31
GRM2 Q14416 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
Hydrochloric Acid SCHEMBL6982867 0.85 KDM4E (0.44) ALDH1A1MAPTPOLBRECQLKDM4E
Hydrochloric Acid SCHEMBL6976894 0.83 HRH3 (0.36) ALDH1A1MAPTPOLBRECQLKDM4E
Oxalic Acid SCHEMBL6978397 0.75 PRCP (0.37) ALDH1A1MAPTKDM4ECNR1HRH3
SCHEMBL6978399 0.74 ALDH1A1 (0.35) ALDH1A1MAPTPOLBRECQLKDM4E
Oxalic Acid SCHEMBL6969996 0.73 KMT2A (0.46) ALDH1A1MAPTPOLBKDM4EGAA
SCHEMBL6970002 0.72 HTR2A (0.34) ALDH1A1MAPTCNR1HRH3HTR1A
SCHEMBL8316992 0.65 HRH3 (0.39) ALDH1A1KDM4EL3MBTL1CNR1HRH3
Hydrochloric Acid SCHEMBL6984682 0.64 DRD2 (0.58) KDM4EHRH3HTR1AKCNH2DRD4
SCHEMBL6975602 0.63 HTR1A (0.38) ALDH1A1MAPTHTR1AHTR2ADRD3
SCHEMBL6975606 0.63 HTR1A (0.38) ALDH1A1MAPTHTR1AHTR2ADRD3

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-1065205-B1 HETEROAROMATIC DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-05-28 EP disclosed
EP-1207159-A1 Aromaheterocyclic derivatives as dopamine D4 receptor antagonists TAISHO PHARMACEUTICAL CO. LTD (JP) 2002-05-22 EP disclosed
US-6291467-B1 DOPAMINE D4 RECEPTOR ANTAGONIST COMPOUND HAVING AN ANTIPSYCHOTIC ACTION WITHOUT CAUSING EXTRAPYRAMIDAL DISEASES. TAISHO PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-1065205-A1 HETEROAROMATIC DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2001-01-03 EP disclosed