SCHEMBL28844733

SCHEMBL28844733

Nc1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.43
HTR2B P41595 4/20 0.43
HTR2A P28223 3/20 0.43
RIPK1 Q13546 1/20 0.41
PARP10 Q53GL7 2/20 0.38
GRM2 Q14416 2/20 0.38
PARP15 Q460N3 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL2546337 0.86 HTR2C (0.47) HTR2CHTR2BHTR2ARIPK1PARP10
SCHEMBL1409376 0.80 HTR2C (0.48) HTR2CHTR2BHTR2AGRM2
SCHEMBL22069559 0.80 PARP10 (0.45) HTR2CHTR2BHTR2APARP10PARP15
SCHEMBL30350559 0.79 SLC6A4 (0.41) HTR2CHTR2BHTR2AGRM2
SCHEMBL4318256 0.79 SLC6A4 (0.41) HTR2CHTR2BHTR2AGRM2
SCHEMBL30140078 0.79 SYK (0.48) HTR2CHTR2BRIPK1
SCHEMBL10003224 0.79 SYK (0.48) HTR2CHTR2BRIPK1
SCHEMBL17534088 0.79 HTR2A (0.50) HTR2CHTR2BHTR2ARIPK1PARP10
SCHEMBL765009 0.79 GRM2 (0.43) HTR2CHTR2BHTR2ARIPK1GRM2
Hydrochloric Acid SCHEMBL21523562 0.79 HTR2C (0.47) HTR2CHTR2BHTR2AGRM2

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
CN-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed