SCHEMBL20017784

SCHEMBL20017784

CSc1c(C)cccc1C1CCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.40
PDPK1 O15530 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38
GID4 Q8IVV7 1/20 0.37
IDO1 P14902 2/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
CYP2D6 P10635 2/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR2A P28223 2/20 0.36

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
SCHEMBL8849605 0.81 DDB1 (0.53) ADRA1APDPK1SIGMAR1DDB1CRBN
SCHEMBL942815 0.76 PDPK1 (0.43) ADRA1APDPK1SIGMAR1TAS1R3TAS1R1
Ammonia Solution, Strong SCHEMBL8005893 0.74 PDPK1 (0.42) ADRA1APDPK1SIGMAR1TAS1R3TAS1R1
SCHEMBL10359793 0.71 GID4 (0.51) ADRA1ATAS1R3TAS1R1TAS1R2DDB1
SCHEMBL24118653 0.71 SIGMAR1 (0.38) SIGMAR1DDB1CRBNSLC6A2SLC6A4
SCHEMBL11216392 0.71 SIGMAR1 (0.39) ADRA1APDPK1SIGMAR1TAS1R3TAS1R1
SCHEMBL10492671 0.69 IDO1 (0.40) ADRA1APDPK1SIGMAR1GID4IDO1
SCHEMBL10492532 0.69 HTR6 (0.41) ADRA1APDPK1SIGMAR1GID4IDO1
SCHEMBL2083374 0.68 PLA2G6 (0.49) ADRA1APDPK1SIGMAR1ADRA2AADRA2B
SCHEMBL11767850 0.68 PRCP (0.56) ADRA1APDPK1SIGMAR1GID4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074375-B1 NEW INDANYLOXYPHENYLCYCLOPROPANECARBOXYLIC ACIDS BOEHRINGER INGELHEIM INT (DE) 2018-04-04 EP disclosed