SCHEMBL19970124

SCHEMBL19970124

CCCC(CC)C(=O)/C=C/CN(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
NFKB1 P19838 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL2730606 0.89 USP2 (0.35) TSHRUSP2
SCHEMBL18909689 0.87 CA2 (0.41) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL19970160 0.86 CA2 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL25811458 0.84 USP2 (0.32) TSHRUSP2
SCHEMBL23315005 0.82 CA2 (0.41) CA2MAPK1CA1GRIK1SLC1A3
SCHEMBL20711871 0.81 CA2 (0.41) CA2MAPK1CA1GRIK1SLC1A2
SCHEMBL26575537 0.80 HDAC1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL23314912 0.80 TAS1R3 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21482210 0.79 CA2 (0.43) CA2GRIK1SLC1A2SLC1A1GRIK2
SCHEMBL22198721 0.79 CA2 (0.43) CA2GRIK1SLC1A2SLC1A1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3395814-B1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORP (US) 2022-04-06 EP disclosed
WO-2018049233-A9 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR 4 IN COMBINATION WITH CYCLIN-DEPENDENT KINASE INHIBITORS STRANSKY NICOLAS (US) 2018-07-12 WO disclosed
WO-2018049233-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR IN COMBINATION WITH CYCLIN-DEPENDENT KINASE INHIBITORS STRANSKY NICOLAS (US) 2018-03-15 WO disclosed
US-9234096-B2 Color and heat stable polycarbonate compositions and methods of making SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2016-01-12 US disclosed