SCHEMBL7843811

SCHEMBL7843811

O=C(O)C1(C2NCCc3c2[nH]c2ccc(F)cc32)CCC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.63
HTR2A P28223 18/20 0.55
HTR2C P28335 17/20 0.55
HTR2B P41595 4/20 0.50
BRD3 Q15059 1/20 0.48

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
SCHEMBL7851653 0.88 MAPKAPK2 (0.62) MAPKAPK2HTR2AHTR2C
SCHEMBL7680950 0.87 SIRT1 (0.54) MAPKAPK2HTR2AHTR2CHTR2B
SCHEMBL7680308 0.87 MAPKAPK2 (0.63) MAPKAPK2HTR2AHTR2CHTR2B
SCHEMBL7680354 0.87 HTR2A (0.47) MAPKAPK2HTR2AHTR2CHTR2B
SCHEMBL7853762 0.86 S1PR1 (0.47) MAPKAPK2HTR2AHTR2C
Hydrochloric Acid SCHEMBL7673537 0.86 HTR2A (0.49) MAPKAPK2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL7673540 0.86 HTR2A (0.49) MAPKAPK2HTR2AHTR2CHTR2B
SCHEMBL7854266 0.85 CDC42 (0.47) MAPKAPK2HTR2AHTR2C
SCHEMBL7680234 0.84 MAPKAPK2 (0.63) MAPKAPK2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL7683967 0.84 HTR2A (0.54) MAPKAPK2HTR2AHTR2CHTR2B

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-1070716-A1 Beta-carboline derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-01-24 EP disclosed