SCHEMBL11081044

SCHEMBL11081044

CCCN1CC(C(=O)OCC)CC2CC(=O)/C(=C/N(C)C)CC21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 5/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11080477 1.00 MAPT (0.34) MAPTHTTALDH1A1SMN1; SMN2TP53
SCHEMBL11081045 1.00 MAPT (0.34) MAPTHTTALDH1A1SMN1; SMN2TP53
SCHEMBL15894857 1.00 MAPT (0.34) MAPTHTTALDH1A1SMN1; SMN2TP53
SCHEMBL15894856 0.82 MEN1 (0.33) ALDH1A1SMN1; SMN2HSD17B10KDM4ECYP2C19
SCHEMBL15894858 0.79 CYP3A4 (0.41) MAPTHTTALDH1A1TP53GAA
SCHEMBL17232288 0.77 NR1I2 (0.39) ALDH1A1
SCHEMBL17232363 0.76 NR1I2 (0.36)
SCHEMBL11068690 0.76 HTT (0.37) MAPTHTTALDH1A1SMN1; SMN2TP53
SCHEMBL9728987 0.76 HTT (0.37) MAPTHTTALDH1A1SMN1; SMN2TP53
SCHEMBL15894829 0.76 HTT (0.37) MAPTHTTALDH1A1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013787-B1 OCTAHYDRO PYRAZOLO (3,4-G)QUINOLINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1984-05-02 EP disclosed
EP-0050881-B1 OCTAHYDRO QUINOLINE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-04-25 EP disclosed
US-4367231-A PARKINSON*S SYNDROME ELI LILLY AND COMPANY (US) 1983-01-04 US disclosed
EP-0050881-A1 Octahydro quinoline derivatives ELI LILLY AND COMPANY (US) 1982-05-05 EP disclosed
US-4311844-A Octahydro-2H-pyrrolo[3,4,-g]quinolines ELI LILLY AND COMPANY (US) 1982-01-19 US disclosed
US-4282362-A TREATING PARKINSON'S DISEASE, INHIBITORS OF PRE ACTIN SECRETION, DOPAMINE ANTAGONISTS ELI LILLY AND COMPANY (US) 1981-08-04 US disclosed
US-4235909-A DOPAMINE ANTAGONISTS, IN THE TREATMENT OF PARKINSON'S DISEASE ELI LILLY AND COMPANY (US) 1980-11-25 US disclosed
US-4230861-A DOPAMINE ANTAGONISTS ELI LILLY AND COMPANY (US) 1980-10-28 US disclosed
EP-0013788-A1 Octahydro-2H-pyrrolo(3,4-g)quinolines, process for their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1980-08-06 EP disclosed
EP-0013787-A1 Octahydro pyrazolo (3,4-g)quinolines, process for their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1980-08-06 EP disclosed
US-4198415-A Prolactin inhibiting octahydro pyrazolo[3,4-g]quinolines ELI LILLY AND COMPANY (US) 1980-04-15 US disclosed