SCHEMBL6994948

SCHEMBL6994948

O=C(O)C1CCN(Cc2ccccn2)CC1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.97
KDM4E B2RXH2 9/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CYP2C19 P33261 2/20 0.62
POLB P06746 1/20 0.62
CYP2D6 P10635 1/20 0.62
ALDH1A1 P00352 7/20 0.61
NPSR1 Q6W5P4 1/20 0.60
SIGMAR1 Q99720 1/20 0.56
CYP1A2 P05177 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 1/20 0.54
GFER P55789 1/20 0.54
DRD4 P21917 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54

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
Tert-Butylamine SCHEMBL28089931 0.92 L3MBTL1 (0.83) L3MBTL1KDM4ESMN1; SMN2CYP2C19POLB
SCHEMBL21061969 0.92 L3MBTL1 (0.82) L3MBTL1KDM4ESMN1; SMN2CYP2C19POLB
SCHEMBL21061629 0.92 L3MBTL1 (0.82) L3MBTL1KDM4ESMN1; SMN2CYP2C19POLB
SCHEMBL4387098 0.87 L3MBTL1 (0.75) L3MBTL1KDM4ESMN1; SMN2CYP2C19POLB
Hydrochloric Acid SCHEMBL27515725 0.86 L3MBTL1 (0.78) L3MBTL1KDM4ESMN1; SMN2CYP2C19POLB
SCHEMBL13905827 0.85 L3MBTL1 (0.72) L3MBTL1KDM4ESMN1; SMN2CYP2C19POLB
SCHEMBL30370085 0.85 L3MBTL1 (0.72) L3MBTL1KDM4ESMN1; SMN2CYP2C19POLB
SCHEMBL27714486 0.82 SIGMAR1 (0.70) L3MBTL1KDM4ESMN1; SMN2CYP2C19POLB
SCHEMBL6995476 0.81 L3MBTL1 (0.67) L3MBTL1KDM4ESMN1; SMN2CYP2C19POLB
SCHEMBL21207066 0.79 L3MBTL1 (0.64) L3MBTL1KDM4ESMN1; SMN2CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 US disclosed
EP-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 WO disclosed