SCHEMBL6421679

SCHEMBL6421679

CC(=O)OC1CCCc2cnccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 3/20 0.42
▸ DRD2 P14416 3/20 0.42
▸ HTR7 P34969 3/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.40
▸ TBXAS1 P24557 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KDM4C Q9H3R0 8/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ KDM5A P29375 2/20 0.36
▸ KDM5B Q9UGL1 2/20 0.36
▸ NOX1 Q9Y5S8 1/20 0.35

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
SCHEMBL4455923 0.80 IDO1 (0.58) CHRM4DRD2HTR7ALDH1A1IDO1
SCHEMBL30290988 0.80 IDO1 (0.58) CHRM4DRD2HTR7ALDH1A1IDO1
SCHEMBL13165566 0.78 CHRNB2 (0.41) DRD2CHRNB2CHRNA4SIGMAR1KDM4C
SCHEMBL19658410 0.77 CHRNB2 (0.54) CHRNB2CHRNA4SIGMAR1ALDH1A1TSHR
SCHEMBL12993443 0.76 SIGMAR1 (0.48) DRD2CHRNB2CHRNA4SIGMAR1ALDH1A1
SCHEMBL2809491 0.76 SIGMAR1 (0.48) DRD2CHRNB2CHRNA4SIGMAR1ALDH1A1
SCHEMBL5051427 0.75 ALDH1A1 (0.53) ALDH1A1TSHR
SCHEMBL12070481 0.75 CHRM4 (0.44) CHRM4DRD2HTR7KDM4CIDO1
SCHEMBL5051431 0.75 ALDH1A1 (0.53) ALDH1A1TSHR
SCHEMBL3823105 0.74 ESR1 (0.49) CHRM4DRD2HTR7KDM4C

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
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