SCHEMBL6422033

SCHEMBL6422033

CC(=O)n1c2c(c3ccccc31)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ESR2 Q92731 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
MAPK1 P28482 1/20 0.43
NR1H2 P55055 1/20 0.43
TP53 P04637 1/20 0.43
CREBBP Q92793 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
POLB P06746 1/20 0.42
HTR6 P50406 1/20 0.42
F12 P00748 1/20 0.42
BAZ2B Q9UIF8 1/20 0.41
ADORA1 P30542 1/20 0.41
P2RX3 P56373 1/20 0.40

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
SCHEMBL6421557 0.90 HDAC1 (0.52) CHRM2CHRM4CHRM1CHRM3HDAC1
SCHEMBL6423913 0.90 HDAC1 (0.50) CHRM2CHRM4CHRM1CHRM3HDAC1
SCHEMBL6420928 0.88 HDAC1 (0.51) CHRM2CHRM4CHRM1CHRM3HDAC1
SCHEMBL6422069 0.88 HDAC1 (0.51) CHRM2CHRM4CHRM1CHRM3HDAC1
SCHEMBL6421442 0.87 HDAC1 (0.49) CHRM2CHRM4CHRM1CHRM3HDAC1
SCHEMBL969755 0.86 HDAC6 (0.52) CHRM2CHRM4CHRM1CHRM3HDAC1
SCHEMBL968966 0.85 HDAC1 (0.50) CHRM2CHRM4CHRM1CHRM3HDAC1
SCHEMBL6783062 0.84 HDAC1 (0.50) CHRM2CHRM4CHRM1CHRM3HDAC1
SCHEMBL6421798 0.83 HDAC1 (0.55) CHRM2CHRM4CHRM1CHRM3HDAC1
SCHEMBL6421885 0.83 HDAC1 (0.50) CHRM2CHRM4CHRM1CHRM3HDAC1

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