SCHEMBL20213958

SCHEMBL20213958

CCOCCOCCOCCOCCOc1ncc(Br)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.41
APP P05067 5/20 0.34
S1PR4 O95977 1/20 0.34
ADRB2 P07550 2/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CNR2 P34972 1/20 0.32
AR P10275 1/20 0.31
NCF1 P14598 2/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
CDK1 P06493 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
SCHEMBL20120517 0.86 SSTR4 (0.41) SSTR4APP
SCHEMBL20129078 0.86 SSTR4 (0.41) SSTR4APP
SCHEMBL22638138 0.85 SSTR4 (0.44) SSTR4S1PR4CYP11B1CYP11B2CNR2
SCHEMBL29749337 0.85 SSTR4 (0.44) SSTR4S1PR4CYP11B1CYP11B2CNR2
SCHEMBL2391289 0.85 SSTR4 (0.46) SSTR4S1PR4CYP11B1CYP11B2AR
SCHEMBL20129080 0.79 SSTR4 (0.44) SSTR4APPS1PR4CYP11B1CYP11B2
SCHEMBL16829682 0.77 SSTR4 (0.41) SSTR4S1PR4CNR2AAK1
SCHEMBL2713610 0.77 SSTR4 (0.49) SSTR4S1PR4CYP11B1CYP11B2KDM4E
SCHEMBL13281923 0.76 SSTR4 (0.52) SSTR4S1PR4CYP11B1CYP11B2AAK1
SCHEMBL16829634 0.75 SSTR4 (0.42) SSTR4S1PR4CYP11B1CYP11B2CNR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3999182-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2022-05-25 EP disclosed
WO-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 WO disclosed
EP-3535265-A2 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2019-09-11 EP disclosed
WO-2018102067-A2 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-07 WO disclosed