SCHEMBL16854630

SCHEMBL16854630

COC[C@H]1CCCN1c1ccc(C(=O)N2CCC(N3CCC[C@@H](C)C3)CC2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 20/20 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
Formic Acid SCHEMBL18145296 0.97 ADRA1A (0.93) ADRA1A
SCHEMBL16854317 0.88 ADRA1A (1.00) ADRA1A
SCHEMBL16846288 0.82 ADRA1A (1.00) ADRA1A
SCHEMBL16827302 0.81 ADRA1A (1.00) ADRA1A
SCHEMBL16854329 0.81 ADRA1A (1.00) ADRA1A
SCHEMBL16827284 0.78 ADRA1A (1.00) ADRA1A
SCHEMBL16854631 0.77 ADRA1A (1.00) ADRA1A
SCHEMBL16854290 0.77 ADRA1A (0.73) ADRA1A
SCHEMBL16827277 0.77 ADRA1A (0.73) ADRA1A
SCHEMBL16827298 0.77 ADRA1A (0.73) ADRA1A

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
US-9624199-B2 Substituted bipiperidinyl derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 — — US disclosed
US-9624199-B2 Substituted bipiperidinyl derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 — — US disclosed
WO-2015091420-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 — — WO disclosed
Send feedback