SCHEMBL27360069

SCHEMBL27360069

CC(N)C[C@@H](C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.60
TRPA1 O75762 4/20 0.59
AOC3 Q16853 2/20 0.54
SLC6A2 P23975 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
RIPK1 Q13546 1/20 0.47
ADRA2A P08913 1/20 0.46
ADRA2C P18825 1/20 0.46
LMNA P02545 1/20 0.46
HIF1A Q16665 1/20 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
SCHEMBL6014452 1.00 TAAR1 (0.60) TAAR1TRPA1AOC3SLC6A2MAOA
SCHEMBL4433686 1.00 TAAR1 (0.60) TAAR1TRPA1AOC3SLC6A2MAOA
SCHEMBL3672929 0.85 TRPA1 (0.67) TAAR1TRPA1AOC3SLC6A3RIPK1
Hydrochloric Acid SCHEMBL10535795 0.84 TAAR1 (0.58) TAAR1TRPA1AOC3RIPK1ADRA2A
SCHEMBL18266052 0.84 TAAR1 (0.58) TAAR1TRPA1AOC3RIPK1
SCHEMBL7678158 0.83 TAAR1 (0.50) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL9233371 0.82 TAAR1 (0.56) TAAR1TRPA1AOC3RIPK1ADRA2A
SCHEMBL7691241 0.82 TRPA1 (0.59) TAAR1TRPA1AOC3RIPK1ADRA2A
SCHEMBL13335229 0.81 TRPA1 (0.63) TAAR1TRPA1AOC3RIPK1ADRA2A
SCHEMBL11415966 0.81 TAAR1 (0.48) TAAR1SLC6A2MAOASLC6A4SLC6A3

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
EP-4525865-A1 CRYSTALLINE FORMS OF AN ESTROGEN RECEPTOR ANTAGONIST Olema Pharmaceuticals, Inc. (US) 2025-03-26 EP disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2023225354-A1 CRYSTALLINE FORMS OF AN ESTROGEN RECEPTOR ANTAGONIST OLEMA PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed