SCHEMBL20662535

SCHEMBL20662535

C=C(COc1ccc(C(=O)C2=CCCC=C2)cc1)NC1CCN(CC2=CCCC=C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADIPOR2 Q86V24 1/20 0.48
ADIPOR1 Q96A54 1/20 0.48
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
ATF4 P18848 3/20 0.35
UTS2R Q9UKP6 1/20 0.35
DRD4 P21917 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL20662532 0.80 ADIPOR2 (0.77) ADIPOR2ADIPOR1USP2POLBLMNA
SCHEMBL22808923 0.70 ADIPOR2 (0.67) ADIPOR2ADIPOR1USP2POLBMAPK1
SCHEMBL21336045 0.67 GAA (0.55) LMNAALDH1A1MAPK1
SCHEMBL20662541 0.66 SIGMAR1 (0.45) POLBSMN1; SMN2DRD4MCHR1
SCHEMBL22517207 0.66 SIGMAR1 (0.46) ADIPOR2ADIPOR1MEN1KMT2AMAPK1
SCHEMBL17938602 0.66 ADIPOR2 (1.00) ADIPOR2ADIPOR1USP2POLBLMNA
SCHEMBL24049468 0.65 ADIPOR2 (0.45) ADIPOR2ADIPOR1USP2POLBSMN1; SMN2
SCHEMBL17506035 0.64 ACHE (0.36) POLBMEN1KMT2AHRH3
SCHEMBL13943432 0.64 MAPT (0.49) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL12179575 0.64 L3MBTL1 (0.51) POLBALDH1A1

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-3431468-A1 USE OF ADIPONECTIN RECEPTOR AGONISTS IN TREATING DEPRESSION, ANXIETY AND NEUROINFLAMMATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-01-23 EP disclosed