SCHEMBL6581593

SCHEMBL6581593

C[C@@H](CN1CCC(COC(=O)Nc2ccccc2[N+](=O)[O-])CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.47
ACHE P22303 2/20 0.47
MAOB P27338 2/20 0.46
CHRM3 P20309 4/20 0.44
MAPK1 P28482 1/20 0.42
CCR3 P51677 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
HRH1 P35367 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6584115 0.86 TRPV1 (0.47) BCHEACHEMAOBCHRM3NPC1
SCHEMBL6581748 0.86 BCHE (0.50) BCHEACHEMAOBCHRM3NPC1
SCHEMBL6586747 0.77 HRH1 (0.50) BCHEACHEHRH1
SCHEMBL7416499 0.77 CCR3 (0.53) CHRM3CCR3HTT
SCHEMBL6672269 0.77 RAB9A (0.61) MAPK1NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL8661228 0.75 CTSK (0.51) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6586884 0.74 BCHE (0.43) BCHEACHEMAOBALDH1A1L3MBTL1
SCHEMBL5221853 0.72 MAPK1 (0.46) BCHEACHEMAOBCHRM3MAPK1
SCHEMBL8591719 0.70 CHRM3 (0.55) CHRM3NPC1RAB9A
SCHEMBL23137089 0.68 ATM (0.49) MAPK1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815080-B1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT4 ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA (IT) 2004-06-16 EP disclosed
US-6002009-A Di-substituted 1,4-piperidine esters and amides having 5-HT4 antagonistic activity BOEHRINGER INGELHEIM ITALIA, S.P.A. (IT) 1999-12-14 US disclosed
WO-1996028424-A1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT4 ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-09-19 WO disclosed