SCHEMBL20207075

SCHEMBL20207075

CC1CC1CCOc1cc([C@H](C)N)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 8/20 0.35
▸ HTR2B P41595 8/20 0.35
▸ HTR2A P28223 7/20 0.35
▸ AKT1 P31749 3/20 0.32
▸ RPS6KA1 Q15418 3/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ GRK2 P25098 1/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ GRM3 Q14832 1/20 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
SCHEMBL20376506 1.00 HTR2C (0.35) HTR2CHTR2BHTR2AAKT1RPS6KA1
SCHEMBL18374371 0.84 SCN9A (0.42) —
Hydrochloric Acid SCHEMBL20191183 0.83 SCN9A (0.41) —
Hydrochloric Acid SCHEMBL20191182 0.83 SCN9A (0.41) —
SCHEMBL20188092 0.79 MAPT (0.39) HTR2CHTR2BHTR2A
SCHEMBL18374263 0.79 MAPT (0.39) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL20338506 0.77 KDM4E (0.41) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL20338505 0.77 KDM4E (0.41) HTR2CHTR2BHTR2A
SCHEMBL28408399 0.75 HTT (0.44) —
SCHEMBL31447482 0.75 HTT (0.44) —

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-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
Send feedback