SCHEMBL21779909

SCHEMBL21779909

C=C(C)N1CC(NC(=O)C2CCCCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.48
CYP3A4 P08684 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 2/20 0.46
CYP2D6 P10635 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
EPHX2 P34913 3/20 0.42
LMNA P02545 1/20 0.42
KDM5A P29375 1/20 0.42

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
SCHEMBL21779869 0.95 ALDH1A1 (0.43) ALDH1A1L3MBTL1TSHRCYP3A4RAB9A
SCHEMBL21514117 0.79 L3MBTL1 (0.53) ALDH1A1L3MBTL1TSHRCYP3A4RAB9A
SCHEMBL16254584 0.77 POLB (0.47) ALDH1A1L3MBTL1TSHRMAPK1CYP2D6
SCHEMBL25093395 0.75 CYP2D6 (0.60) ALDH1A1L3MBTL1TSHRCYP3A4RAB9A
SCHEMBL14276927 0.75 EPHX2 (0.70) ALDH1A1L3MBTL1TSHRCYP3A4RAB9A
SCHEMBL25093271 0.75 L3MBTL1 (0.49) ALDH1A1L3MBTL1TSHRCYP3A4RAB9A
SCHEMBL24202656 0.73 MAPT (0.64) ALDH1A1L3MBTL1TSHRCYP3A4RAB9A
SCHEMBL24383487 0.73 MAPT (0.64) ALDH1A1L3MBTL1TSHRCYP3A4RAB9A
SCHEMBL25123271 0.73 MAPT (0.64) ALDH1A1L3MBTL1TSHRCYP3A4RAB9A
SCHEMBL24383446 0.73 MAPT (0.64) ALDH1A1L3MBTL1TSHRCYP3A4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed