SCHEMBL5636086

SCHEMBL5636086

CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(Cc3ccccc3)cc3c1N2CCCS3

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.45
DRD2 P14416 14/20 0.44
HTR2A P28223 14/20 0.44
HTR2C P28335 14/20 0.44
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
STS P08842 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL5637203 0.92 HTR2A (0.45) DRD2HTR2AHTR2C
SCHEMBL5636381 0.91 DRD2 (0.46) USP30DRD2HTR2AHTR2CGPR119
SCHEMBL5635295 0.90 DRD2 (0.41) USP30DRD2HTR2AHTR2C
SCHEMBL5635194 0.90 HTR2C (0.45) DRD2HTR2AHTR2CGPR119
SCHEMBL5636520 0.89 DRD2 (0.41) DRD2HTR2AHTR2C
SCHEMBL5635968 0.88 HTR2C (0.49) DRD2HTR2AHTR2C
SCHEMBL5636889 0.87 HTR2C (0.40) DRD2HTR2AHTR2CJAK2JAK1
SCHEMBL5636365 0.86 HTR2C (0.38) DRD2HTR2AHTR2CJAK2JAK1
SCHEMBL5638305 0.85 DRD2 (0.38) DRD2HTR2AHTR2C
SCHEMBL5635914 0.85 DRD2 (0.42) USP30DRD2HTR2AHTR2CGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39679-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US disclosed
US-6713471-B1 SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US disclosed