SCHEMBL16299539

SCHEMBL16299539

Clc1ccc2[nH]c3c(c2c1)CCNC3c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.75
HTR2C P28335 17/20 0.75
HTR2B P41595 2/20 0.60

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
SCHEMBL764996 0.90 HTR2A (0.72) HTR2AHTR2CHTR2B
SCHEMBL764650 0.86 HTR2A (1.00) HTR2AHTR2C
SCHEMBL763734 0.84 HTR2C (0.85) HTR2AHTR2CHTR2B
SCHEMBL763546 0.82 HTR2C (1.00) HTR2AHTR2CHTR2B
SCHEMBL764778 0.81 MAPKAPK2 (0.70) HTR2AHTR2C
SCHEMBL764754 0.79 HTR2C (0.77) HTR2AHTR2CHTR2B
SCHEMBL763595 0.79 HTR2C (1.00) HTR2AHTR2CHTR2B
SCHEMBL764714 0.79 MAPKAPK2 (0.72) HTR2AHTR2C
SCHEMBL14390104 0.79 HTR2A (0.59) HTR2AHTR2C
SCHEMBL763670 0.79 HTR2A (0.82) HTR2AHTR2CHTR2B

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-1871375-B1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PTC THERAPEUTICS INC (US) 2012-02-29 EP disclosed