SCHEMBL8980608

SCHEMBL8980608

CCOC(=O)c1cccc(C(=O)CC)c1OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
RAB9A P51151 2/20 0.51
MAOB P27338 3/20 0.48
MAOA P21397 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 1/20 0.45
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTT P42858 2/20 0.43
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8980593 0.87 MAOB (0.49) L3MBTL1RAB9AMAOBMAOASMN1; SMN2
SCHEMBL8980579 0.84 TSHR (0.53) L3MBTL1MAOBSMN1; SMN2HTTCYP3A4
SCHEMBL8876362 0.83 TP53 (0.48) L3MBTL1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL8980925 0.81 ALDH1A1 (0.60) L3MBTL1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL28877532 0.74 ALDH1A1 (0.56) L3MBTL1MAOBLMNAHTTCYP3A4
SCHEMBL10600006 0.73 RAB9A (0.81) L3MBTL1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL10549388 0.73 HTR1A (0.47) L3MBTL1RAB9AMAOBMAOASMN1; SMN2
SCHEMBL6568015 0.71 MAPT (0.48) RAB9AMAOBMAOASMN1; SMN2MAPT
SCHEMBL8759753 0.71 MAOB (0.56) L3MBTL1RAB9AMAOBMAOAMAPT
SCHEMBL7878656 0.71 ALDH1A1 (0.53) L3MBTL1RAB9ASMN1; SMN2MAPTLMNA

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
EP-0711288-A1 PIPERAZINE DERIVATIVES AS ALPHA 1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 1996-05-15 EP disclosed
WO-1995004049-A1 PIPERAZINE DERIVATIVES AS α1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-02-09 WO disclosed