SCHEMBL7680243

SCHEMBL7680243

O=C(OC1CCCC1)C1(C2NCCc3c2[nH]c2ccc(Cl)cc32)CCC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.53
HTR2C P28335 10/20 0.53
SIRT1 Q96EB6 9/20 0.53
HTR2A P28223 9/20 0.53
SIRT2 Q8IXJ6 3/20 0.49
SIRT3 Q9NTG7 2/20 0.47
HTR2B P41595 2/20 0.47

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
Hydrochloric Acid SCHEMBL7677041 0.99 HTR2C (0.53) MAPKAPK2HTR2CSIRT1HTR2ASIRT2
Hydrochloric Acid SCHEMBL7684059 0.89 MAPKAPK2 (0.54) MAPKAPK2HTR2CSIRT1HTR2AHTR2B
SCHEMBL7680308 0.86 MAPKAPK2 (0.63) MAPKAPK2HTR2CSIRT1HTR2ASIRT2
SCHEMBL7673749 0.85 KMT2A (0.56) MAPKAPK2HTR2CSIRT1HTR2AHTR2B
SCHEMBL7695296 0.85 MAPKAPK2 (0.59) MAPKAPK2HTR2CSIRT1HTR2ASIRT2
SCHEMBL7843268 0.85 SIRT1 (0.64) MAPKAPK2HTR2CSIRT1HTR2ASIRT2
Hydrochloric Acid SCHEMBL7683795 0.85 KMT2A (0.56) MAPKAPK2HTR2CSIRT1HTR2AHTR2B
Hydrochloric Acid SCHEMBL7681035 0.85 MAPKAPK2 (0.52) MAPKAPK2HTR2CSIRT1HTR2AHTR2B
Hydrochloric Acid SCHEMBL7680976 0.84 SIRT1 (0.62) MAPKAPK2HTR2CSIRT1HTR2ASIRT2
SCHEMBL7856369 0.83 SIRT1 (0.54) MAPKAPK2HTR2CSIRT1HTR2ASIRT2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350757-B1 Beta-carboline compounds LES LABORATOIRES SERVIER (FR) 2002-02-26 US claimed
US-6350757-B1 Beta-carboline compounds LES LABORATOIRES SERVIER (FR) 2002-02-26 US disclosed
JP-2001072679-A NEW BETA-CARBOLINE COMPOUND, ITS PREPARATION, AND MEDICINAL COMPOSITION CONTAINING THE SAME ADIR 2001-03-21 JP disclosed