SCHEMBL20197167

SCHEMBL20197167

CC(C)Cn1nccc1I

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.34
PIK3CD O00329 1/20 0.32
LMNA P02545 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CNR2 P34972 1/20 0.31
CTSK P43235 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL20197195 0.80 ALDH1A1 (0.33) HTR2CMAPK1MAPT
SCHEMBL26389404 0.79
SCHEMBL6154816 0.77 MAPK1 (0.47) GRM2PIK3CDLMNAMAPK1
SCHEMBL20548194 0.76
SCHEMBL23138107 0.75 S1PR1 (0.34) GRM2PIK3CDLMNAHTR2AHTR2C
SCHEMBL18250270 0.75 MAPK1 (0.34) GRM2PIK3CDLMNAHTR2AHTR2C
SCHEMBL22633135 0.75 KDM4E (0.48) GRM2PIK3CDLMNAHTR2AHTR2C
SCHEMBL27038548 0.75 GRM2 (0.41) GRM2PIK3CDLMNACNR2CTSK
SCHEMBL16502339 0.73 BAZ2A (0.37) GRM2PIK3CDLMNACNR2CTSK
SCHEMBL26389411 0.72

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-3038622-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2018-05-30 EP disclosed