SCHEMBL16854292

SCHEMBL16854292

COCCN(C)c1ccc(C(=O)N2CCC(N3CCC[C@@H](C)C3)CC2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 19/20 1.00
▸ L3MBTL3 Q96JM7 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
Hydrochloric Acid SCHEMBL18145300 0.99 ADRA1A (0.98) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16854407 0.81 ADRA1A (1.00) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16854291 0.81 ADRA1A (1.00) ADRA1A
SCHEMBL16823907 0.79 ADRA1A (0.65) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16854330 0.78 ADRA1A (1.00) ADRA1A
SCHEMBL16854290 0.77 ADRA1A (0.73) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16827298 0.77 ADRA1A (0.73) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16827277 0.77 ADRA1A (0.73) ADRA1AL3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL18145307 0.76 ADRA1A (0.72) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16854630 0.76 ADRA1A (1.00) 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