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Sugi Predict / Compounds / SCHEMBL13999216

SCHEMBL13999216

SCHEMBL13999216

COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 20/20 1.00
▸ ADRA1B P35368 20/20 1.00
▸ DRD2 P14416 19/20 1.00
▸ ADRA1D P25100 19/20 1.00

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
SCHEMBL5104591 1.00 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL5104588 1.00 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL5098114 0.89 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL5098186 0.89 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL5098121 0.89 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL5101829 0.88 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL5112041 0.88 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL5101822 0.88 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL5111487 0.87 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL5105322 0.87 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D

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-7470711-B2 Piperidinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-30 — — US disclosed
US-7470711-B2 Piperidinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-30 — — US disclosed
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