SCHEMBL6422016

SCHEMBL6422016

C=CCn1c2c(c3ccccc31)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KRAS P01116 2/20 0.51
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
ENPP2 Q13822 1/20 0.43

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
SCHEMBL6421094 0.85 PTGDR2 (0.59) HDAC1HDAC6KRASCHRM2CHRM4
SCHEMBL6421798 0.85 HDAC1 (0.55) HDAC1HDAC6KRASCHRM2CHRM4
SCHEMBL6421118 0.85 HDAC1 (0.55) HDAC1HDAC6KRASCHRM2CHRM4
SCHEMBL6423329 0.84 HDAC1 (0.55) HDAC1HDAC6KRASCHRM2CHRM4
SCHEMBL6421345 0.84 HDAC1 (0.67) HDAC1HDAC6
SCHEMBL4185797 0.83 HDAC1 (0.56) HDAC1HDAC6KRASCHRM2CHRM4
SCHEMBL6420742 0.83 HDAC1 (0.54) HDAC1HDAC6KRASCHRM2CHRM4
SCHEMBL6423858 0.82 HDAC1 (0.53) HDAC1HDAC6KRASCHRM2CHRM4
SCHEMBL6424243 0.82 HDAC1 (0.55) HDAC1HDAC6KRASCHRM2CHRM4
SCHEMBL6420913 0.82 HDAC1 (0.52) HDAC1HDAC6KRASCHRM2CHRM4

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
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed