SCHEMBL25809441

SCHEMBL25809441

C=CC(=O)N1CCC2(CCN(Cc3ccc(Cl)c(Cl)c3)C2)C1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 5/20 0.58
ERN1 O75460 1/20 0.57
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
OPRK1 P41145 1/20 0.46
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46

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 0.84 CYP2D6 (0.64) CYP3A4CYP2D6TSHR
SCHEMBL25809385 0.83 CYP3A4 (0.48) CYP3A4CYP2D6TSHRFAAH
SCHEMBL16117809 0.82 GPR183 (0.65) GPR183OPRK1FAAH
SCHEMBL25809447 0.82 CYP3A4 (0.65) CYP3A4CYP2D6TSHR
SCHEMBL20556708 0.80 ERN1 (0.56) GPR183ERN1CYP3A4CYP2D6TSHR
SCHEMBL25809381 0.80 CYP3A4 (0.50) CYP3A4CYP2D6TSHR
SCHEMBL25809438 0.80 ALDH1A1 (0.52) CYP3A4CYP2D6TSHRMGLL
SCHEMBL21393286 0.79 CYP2D6 (0.68) CYP3A4CYP2D6TSHR
SCHEMBL25809445 0.78 DOCK5 (0.49) GPR183CYP3A4CYP2D6TSHR
SCHEMBL21257978 0.78 ERN1 (0.51) GPR183ERN1CYP2D6

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