Sugi Predict

Sugi Predict / Compounds / SCHEMBL5637446

SCHEMBL5637446

SCHEMBL5637446

CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(/C=C/c3c(F)cccc3F)cc3c1N2CCCS3

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 20/20 0.43
▸ DRD2 P14416 19/20 0.43
▸ HTR2A P28223 19/20 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
SCHEMBL5635914 0.90 DRD2 (0.42) HTR2CDRD2HTR2A
SCHEMBL5636550 0.88 HTR2C (0.49) HTR2CDRD2HTR2A
SCHEMBL5637022 0.88 DRD2 (0.44) HTR2CDRD2HTR2A
SCHEMBL5635359 0.85 HTR2C (0.60) HTR2CDRD2HTR2A
SCHEMBL5637067 0.85 DRD2 (0.39) HTR2CDRD2HTR2A
SCHEMBL5636679 0.84 HTR2C (0.38) HTR2CDRD2HTR2A
SCHEMBL5637179 0.84 HTR2C (0.38) HTR2CDRD2HTR2A
SCHEMBL5636706 0.82 STS (0.37) HTR2CDRD2HTR2A
SCHEMBL5637242 0.81 HTR2A (0.54) HTR2CDRD2HTR2A
SCHEMBL5635194 0.81 HTR2C (0.45) HTR2CDRD2HTR2A

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