SCHEMBL28658161

SCHEMBL28658161

CN(C)C1CCN(N2CCC(N3CCCCC3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 8/20 0.54
L3MBTL1 Q9Y468 7/20 0.54
OPRL1 P41146 2/20 0.39
MBTD1 Q05BQ5 5/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EBP Q15125 1/20 0.34
DHCR7 Q9UBM7 1/20 0.34
TP53BP1 Q12888 1/20 0.33
L3MBTL4 Q8NA19 1/20 0.33

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
SCHEMBL13874783 0.85 L3MBTL3 (0.50) L3MBTL3L3MBTL1OPRL1MBTD1CYP2D6
SCHEMBL13874528 0.83 L3MBTL3 (0.51) L3MBTL3L3MBTL1OPRL1MBTD1CYP2D6
SCHEMBL7581493 0.80 L3MBTL3 (0.48) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL13874479 0.79 L3MBTL3 (0.47) L3MBTL3L3MBTL1OPRL1ALDH1A1
SCHEMBL20445361 0.75 L3MBTL3 (0.50) L3MBTL3L3MBTL1OPRL1MBTD1TP53BP1
SCHEMBL18843591 0.75 L3MBTL3 (0.45) L3MBTL3L3MBTL1ALDH1A1
SCHEMBL23258084 0.72 OPRL1 (0.42) L3MBTL3L3MBTL1OPRL1MBTD1CYP2D6
SCHEMBL24681506 0.71 L3MBTL3 (0.41) L3MBTL3L3MBTL1KDM4EALDH1A1EBP
SCHEMBL24454832 0.71 KMT2A (0.44) L3MBTL3L3MBTL1OPRL1KDM4E
SCHEMBL22166558 0.71 L3MBTL3 (0.42) L3MBTL3L3MBTL1

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
CN-108640965-B 2-substituted-18 beta-glycyrrhetinic acid derivative and application thereof 沈阳药科大学 2021-11-05 CN disclosed