SCHEMBL21499446

SCHEMBL21499446

CC1c2ccccc2CCC1P

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
PDPK1 O15530 1/20 0.48
IDO1 P14902 2/20 0.44
SIGMAR1 Q99720 2/20 0.42
CYP11B2 P19099 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL1261931 0.79 DRD2 (0.53) DRD2PDPK1IDO1SIGMAR1CYP11B2
SCHEMBL18408553 0.79 DRD2 (0.53) DRD2PDPK1IDO1SIGMAR1CYP11B2
SCHEMBL14555196 0.78 HTR2A (0.52) DRD2PDPK1IDO1HTR2AHTR2C
Methyl Alcohol SCHEMBL14815562 0.76 DRD2 (0.50) DRD2PDPK1IDO1CYP11B2HTR2A
SCHEMBL13198513 0.76 DRD2 (0.50) DRD2PDPK1IDO1SIGMAR1CYP11B2
SCHEMBL14169776 0.76 DRD2 (0.50) DRD2PDPK1IDO1CYP11B2HTR2A
SCHEMBL6230330 0.76 DRD2 (0.50) DRD2PDPK1IDO1HTR2A
SCHEMBL14367929 0.76 DRD2 (0.50) DRD2PDPK1IDO1CYP11B2HTR2A
SCHEMBL19419825 0.76 DRD2 (0.50) DRD2PDPK1IDO1CYP11B2HTR2A
SCHEMBL186363 0.74 HTR2A (0.57) DRD2PDPK1IDO1SIGMAR1CYP11B2

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
WO-2019204354-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2019-10-24 WO disclosed