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Sugi Predict / Compounds / SCHEMBL13999212

SCHEMBL13999212

SCHEMBL13999212

O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 16/20 1.00
▸ ADRA1D P25100 16/20 1.00
▸ ADRA1A P35348 16/20 1.00
▸ ADRA1B P35368 16/20 1.00
▸ CHRM2 P08172 4/20 0.46

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
SCHEMBL13999210 1.00 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1BCHRM2
SCHEMBL5111487 0.84 ADRA1A (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13999206 0.84 ADRA1A (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5105322 0.84 ADRA1A (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13999208 0.80 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5110677 0.80 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13999209 0.76 DRD2 (0.82) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13999207 0.76 DRD2 (0.82) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13999205 0.76 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5105291 0.76 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B

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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