SCHEMBL23205152

SCHEMBL23205152

CO[C@H]1C[C@H](N2CCCN(CC3CCN(C)CC3)C2)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2C P18825 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL25609366 1.00 NCF1 (0.32) NCF1CHRM5ADRA2CALDH1A1TSHR
SCHEMBL23204651 0.85 NCF1 (0.35) NCF1CHRM5ADRA2C
SCHEMBL23205151 0.85 NCF1 (0.35) NCF1CHRM5ADRA2C
SCHEMBL23204650 0.82 CACNA2D1 (0.36) NCF1CHRM5ADRA2C
SCHEMBL23204652 0.82 CACNA2D1 (0.36) NCF1CHRM5ADRA2C
SCHEMBL22906588 0.76 NCF1 (0.39) NCF1CHRM5ADRA2C
SCHEMBL23204653 0.76 NCF1 (0.39) NCF1CHRM5ADRA2C
SCHEMBL21673382 0.74
SCHEMBL21673385 0.73 HRH3 (0.33)
SCHEMBL13861716 0.73 CHRM5 (0.56) NCF1CHRM5ADRA2C

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
WO-2023096987-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2023-06-01 WO disclosed
WO-2021067606-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-04-08 WO disclosed