SCHEMBL8133166

SCHEMBL8133166

CC(C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 9/20 0.52
LMNA P02545 4/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL8130534 0.79 MAPK1 (0.56) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL25406503 0.75 HSD17B10 (0.66) LMNAMAPTHTTL3MBTL1POLB
SCHEMBL6533994 0.75 AAK1 (0.52) MAPTHTTL3MBTL1MEN1KMT2A
SCHEMBL21669399 0.75 SERPINE1 (0.57) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL6320725 0.74 LMNA (0.55) LMNAMAPTHTTL3MBTL1MEN1
Hydrochloric Acid SCHEMBL9992562 0.73 LMNA (0.54) LMNAMAPTHTTL3MBTL1MEN1
SCHEMBL27845197 0.71 MAPT (0.52) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL10860209 0.71 MAPT (0.52) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL11473788 0.71 ALDH1A1 (0.57) LMNAMAPTHTTL3MBTL1MEN1
Hydrochloric Acid SCHEMBL9992955 0.71 POLB (0.64) LMNAMAPTHTTMEN1KMT2A

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-0526434-B1 Benzimidazolone derivatives as 5-HT1A and 5-HT2 antagonists BOEHRINGER INGELHEIM ITALIA (IT) 2000-04-19 EP disclosed
US-5576318-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-11-19 US disclosed
WO-1993003016-A1 BENZIMIDAZOLONE DERIVATIVES AS 5-HT1A AND 5-HT2 ANTAGONISTS BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1993-02-18 WO disclosed
EP-0526434-A1 Benzimidazolone derivatives as 5-HT1A and 5-HT2 antagonists BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1993-02-03 EP disclosed