SCHEMBL8178308

SCHEMBL8178308

NC(=O)c1ccc(CN2CCCCCC2)s1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.42
F2 P00734 1/20 0.42
CHEK1 O14757 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40

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
SCHEMBL8171401 0.84 HRH3 (0.55) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL8179534 0.84 HRH3 (0.58) HRH3L3MBTL1ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL8176778 0.84 HRH3 (0.58) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL8176935 0.84 HRH3 (0.51) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL8184741 0.84 HRH3 (0.61) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL3592586 0.83 HRH3 (0.57) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL6578561 0.83 HRH3 (0.53) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL8177739 0.82 HRH3 (0.50) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL8177480 0.81 HRH3 (0.49) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL6580820 0.79 HRH3 (0.56) HRH3L3MBTL1ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090804-A PSYCHOLOGICAL DISORDERS; SCHIZOPHRENIA THERAPY YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-07-18 US disclosed
EP-0921123-A1 NOVEL THIOPHENE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1999-06-09 EP disclosed