SCHEMBL11081986

SCHEMBL11081986

CCOC(=O)C1CNCCC1c1cccc(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
PKM P14618 1/20 0.58
HTR2C P28335 3/20 0.49
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SLC9A1 P19634 1/20 0.44
REN P00797 1/20 0.43
CACNA1D Q01668 1/20 0.42
HPGD P15428 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 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
SCHEMBL17486619 1.00 MAPT (0.58) MAPTPKMHTR2CTSHRLMNA
SCHEMBL17485182 1.00 MAPT (0.58) MAPTPKMHTR2CTSHRLMNA
SCHEMBL12652935 0.91 MAPT (0.71) MAPTPKMHTR2CTSHRLMNA
SCHEMBL12617862 0.91 MAPT (0.71) MAPTPKMHTR2CTSHRLMNA
SCHEMBL17485277 0.87 MAPT (0.61) MAPTPKMHTR2CTSHRALDH1A1
SCHEMBL17485278 0.87 MAPT (0.54) MAPTPKMHTR2CPOLBALDH1A1
SCHEMBL17485167 0.86 MAPT (0.59) MAPTPKMTSHRLMNAKDM4E
SCHEMBL17486620 0.86 MAPT (0.59) MAPTPKMTSHRLMNAKDM4E
SCHEMBL17485213 0.85 MAPT (0.59) MAPTPKMALDH1A1
SCHEMBL17485233 0.85 MAPT (0.59) MAPTPKMALDH1A1

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
US-4346224-A MORPHINE ANALOGS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1982-08-24 US claimed
US-4435572-A FROM 3-METHOXYBENZALDEHYDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1984-03-06 US disclosed
US-4346224-A MORPHINE ANALOGS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1982-08-24 US disclosed
US-4289882-A MORPHINE ANALOG ANALGESICS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 1981-09-15 US disclosed
US-4189583-A FROM 1-METHYL-2-OXO-3-METHYLENE-4-(3'-METHOXYPHENYL)-4 -(CARBOXYMETHYLENE)PIPERIDINE BY CYCLIZATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-02-19 US disclosed