SCHEMBL9524435

SCHEMBL9524435

COc1sccc1NC(=O)NC1CC2CCC(C1)N2C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HTR4 Q13639 1/20 0.41

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
SCHEMBL9525960 0.85 SMN1; SMN2 (0.69) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL9525624 0.81 HTR4 (0.48) MEN1KMT2ALMNAL3MBTL1KDM4E
SCHEMBL10542205 0.78 POLB (0.60) SMN1; SMN2KMT2ALMNAKDM4EALDH1A1
SCHEMBL9526020 0.77 HTR4 (0.47) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL10537786 0.76 MAPT (0.67) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL10540683 0.75 MAPT (0.55) MEN1KMT2ALMNAL3MBTL1KDM4E
SCHEMBL10539974 0.75 MAPT (0.56) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL10540979 0.75 TSHR (0.59) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL10539747 0.75 KDM4E (0.69) SMN1; SMN2KDM4EALDH1A1
SCHEMBL10537855 0.74 KMT2A (0.51) MEN1KMT2ALMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255297-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1993-04-21 EP claimed
EP-0255297-A2 Azabicyclic compounds, process for their preparation, and their pharmaceutical use BEECHAM GROUP PLC (GB) 1988-02-03 EP claimed
EP-0255297-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1993-04-21 EP disclosed
US-4808588-A HEADACHES, CENTRAL NERVOUS SYSTEM DISORDERS, ANTIARRHYTHMIA ANTIEMETIC AGENTS BEECHAM GROUP, P.L.C. (GB) 1989-02-28 US disclosed
EP-0255297-A2 Azabicyclic compounds, process for their preparation, and their pharmaceutical use BEECHAM GROUP PLC (GB) 1988-02-03 EP disclosed