SCHEMBL9853471

SCHEMBL9853471

CC(Cl)CCC(=O)CCC(C)Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.31
BBOX1 O75936 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
SCHEMBL11226078 0.83 CHRNB2 (0.35) CA1GABRPGABRDGABRA1GABRB1
SCHEMBL27374870 0.83
SCHEMBL27694927 0.82 KMT2A (0.55) ALDH1A1
SCHEMBL27695572 0.82 KMT2A (0.55) ALDH1A1
SCHEMBL1131636 0.80
SCHEMBL2522581 0.80
SCHEMBL29036720 0.80
Hydrochloric Acid SCHEMBL9106970 0.78
Acetic Acid SCHEMBL11765415 0.76 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4890725 0.76 KMT2A (0.39) CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112341373-B Preparation method of ftibamzone 山东嘉成医药科技有限公司 2022-04-08 CN claimed
CN-112341373-A Preparation method of ftibamzone 山东嘉成医药科技有限公司 2021-02-09 CN claimed
CN-112341373-B Preparation method of ftibamzone 山东嘉成医药科技有限公司 2022-04-08 CN disclosed
CN-112341373-B Preparation method of ftibamzone 山东嘉成医药科技有限公司 2022-04-08 CN disclosed
CN-112341373-A Preparation method of ftibamzone 山东嘉成医药科技有限公司 2021-02-09 CN disclosed
CN-112341373-A Preparation method of ftibamzone 山东嘉成医药科技有限公司 2021-02-09 CN disclosed
EP-0431605-A2 1-Azabicyclo[m.n.O]alkane derivatives, their salts and process for preparing them SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1991-06-12 EP disclosed