SCHEMBL28658779

SCHEMBL28658779

CC(OC=O)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
TDO2 P48775 7/20 0.43
HTR2A P28223 2/20 0.40
HTR2C P28335 1/20 0.40
HTR1A P08908 1/20 0.38

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
SCHEMBL27447132 0.89 HTR2A (0.46) GPR84HTR2AHTR2C
SCHEMBL27526971 0.84 NR4A2 (0.44) GPR84HTR2A
SCHEMBL27785494 0.83 HTR2C (0.40) HTR2AHTR2CHTR1A
SCHEMBL27528319 0.83 CYP2A6 (0.51)
SCHEMBL27552422 0.83 ALDH1A1 (0.35) GPR84HTR2AHTR2C
SCHEMBL28043663 0.83 IMPDH2 (0.38) GPR84HTR2AHTR2C
SCHEMBL27550865 0.83 NR4A2 (0.46) GPR84TDO2HTR2A
SCHEMBL28929780 0.82 ALDH1A1 (0.57) HTR2AHTR2CHTR1A
SCHEMBL28293145 0.81 KIF11 (0.37) GPR84HTR1A
SCHEMBL27891881 0.81 ALDH1A1 (0.37) GPR84

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-109748840-B Synthetic method of 2-substituted indole derivative 中国医学科学院药物研究所 2021-12-07 CN disclosed