SCHEMBL17355366

SCHEMBL17355366

C=C1N2c3c(cccc3C1(C)C)CC2C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.37
SIGMAR1 Q99720 2/20 0.35
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
PRCP P42785 2/20 0.31
ROCK1 Q13464 1/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 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
SCHEMBL17355365 0.82 HTR2C (0.34) HTR2CSIGMAR1HTR2APRCPDRD2
SCHEMBL13388583 0.68 MAP2K1 (0.44) HTR2CSIGMAR1HTR2AHTR2BDRD2
SCHEMBL19221051 0.63 SIGMAR1 (0.47) SIGMAR1PRCP
SCHEMBL19122815 0.62 SIGMAR1 (0.47) SIGMAR1PRCP
SCHEMBL10938890 0.61 GABRA1 (0.34) HTR2CHTR2B
SCHEMBL4603103 0.61 MEN1 (0.37)
SCHEMBL26247675 0.60 DRD2 (0.43) HTR2CHTR2AHTR2BDRD2DRD4
SCHEMBL9750447 0.60 PGR (0.33)
SCHEMBL10595033 0.60 CYP3A4 (0.42) SIGMAR1PRCP
SCHEMBL15468332 0.59 DRD2 (0.53) HTR2CDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9368729-B2 Mixtures for producing photoactive layers for organic solar cells and organic photodetectors BASF SE (DE) 2016-06-14 US disclosed
EP-2489084-B1 COMPOSITIONS FOR THE PRODUCTION OF PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTO DETECTORS BASF SE (DE) 2015-12-23 EP disclosed