SCHEMBL17205151

SCHEMBL17205151

CC1CCCN1c1ncc(-c2nccc(NC(=O)CCl)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 5/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DYRK1A Q13627 4/20 0.40
▸ ATM Q13315 1/20 0.39
▸ MAP3K12 Q12852 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ WNT1 P04628 3/20 0.37
▸ GSK3B P49841 3/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ ACACB O00763 3/20 0.36
▸ LCK P06239 1/20 0.36
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL17205350 1.00 TRPA1 (0.44) TRPA1RXFP1L3MBTL1DYRK1AATM
SCHEMBL17204949 0.97 TRPA1 (0.42) TRPA1RXFP1L3MBTL1DYRK1AATM
SCHEMBL17205371 0.85 TRPA1 (0.51) TRPA1RXFP1L3MBTL1DYRK1AMAP3K12
SCHEMBL17210373 0.82 ALDH1A1 (0.42) TRPA1RXFP1L3MBTL1ATMCYP1A2
SCHEMBL18539062 0.81 TRPA1 (0.43) TRPA1RXFP1L3MBTL1ATMCYP1A2
SCHEMBL17210408 0.81 TRPA1 (0.43) TRPA1RXFP1L3MBTL1ATMCYP1A2
SCHEMBL18539052 0.78 TRPA1 (0.59) TRPA1RXFP1CYP1A2
SCHEMBL17205457 0.78 TRPA1 (0.59) TRPA1RXFP1CYP1A2
SCHEMBL17205223 0.78 DYRK1A (0.40) TRPA1RXFP1L3MBTL1DYRK1AATM
SCHEMBL17205449 0.77 TRPA1 (0.48) TRPA1

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
EP-3134410-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL Hydra Biosciences, Inc. (US) 2017-03-01 — — EP disclosed
WO-2015164643-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2015-10-29 — — WO disclosed
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