SCHEMBL25809383

SCHEMBL25809383

C=CC(=O)N1CCC2(CCN(Cc3cccc4ccccc34)C2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.48
CYP2D6 P10635 6/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
OPRL1 P41146 1/20 0.44
MGLL Q99685 1/20 0.43
TSHR P16473 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
ACHE P22303 1/20 0.41
PDCD1LG2 Q9BQ51 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL25809331 0.81 CYP2D6 (0.64) CYP2D6TSHRCYP3A4CYP2C19CYP1A2
SCHEMBL25809385 0.80 CYP3A4 (0.48) FAAHCYP2D6KMT2AOPRL1TSHR
SCHEMBL25809389 0.76 ALDH1A1 (0.48) CYP2D6KMT2AMGLLTSHRCYP3A4
SCHEMBL21393286 0.75 CYP2D6 (0.68) CYP2D6TSHRCYP3A4CYP2C19CYP1A2
SCHEMBL25809450 0.74 CYP2D6 (0.51) CYP2D6MEN1KMT2ATSHRCYP3A4
SCHEMBL25809456 0.74 CYP2D6 (0.63) CYP2D6TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL25809447 0.74 CYP3A4 (0.65) CYP2D6MEN1KMT2ATSHRCYP3A4
SCHEMBL25809386 0.73 CHRM2 (0.54) FAAHCYP2D6TSHRCYP3A4CYP2C19
SCHEMBL25809390 0.72 CYP3A4 (0.46) CYP2D6TSHRCYP3A4CYP2C19CYP1A2
SCHEMBL16673587 0.71 FAAH (0.71) FAAHMEN1KMT2AMGLLHDAC1

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
WO-2023129332-A1 COVALENT MOLECULAR GLUE STABILIZERS AND PLATFORM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-06 WO disclosed