SCHEMBL25809385

SCHEMBL25809385

C=CC(=O)N1CCC2(CCN(Cc3ccc4ccccc4c3)C2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.48
CYP2D6 P10635 6/20 0.48
TSHR P16473 3/20 0.48
FAAH O00519 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MC4R P32245 1/20 0.47
MC5R P33032 1/20 0.47
OPRL1 P41146 2/20 0.46
KMT2A Q03164 1/20 0.45
USP2 O75604 2/20 0.44
PKM P14618 1/20 0.44

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 0.86 CYP2D6 (0.64) CYP3A4CYP2D6TSHRCYP1A2CYP2C9
SCHEMBL25809441 0.83 GPR183 (0.58) CYP3A4CYP2D6TSHRFAAH
SCHEMBL21393286 0.80 CYP2D6 (0.68) CYP3A4CYP2D6TSHRCYP1A2CYP2C9
SCHEMBL25809383 0.80 FAAH (0.48) CYP3A4CYP2D6TSHRFAAHCYP1A2
SCHEMBL25809456 0.79 CYP2D6 (0.63) CYP3A4CYP2D6TSHRCYP2C19USP2
SCHEMBL25809447 0.79 CYP3A4 (0.65) CYP3A4CYP2D6TSHRCYP1A2CYP2C9
SCHEMBL25809445 0.78 DOCK5 (0.49) CYP3A4CYP2D6TSHRCYP1A2KMT2A
SCHEMBL25809386 0.77 CHRM2 (0.54) CYP3A4CYP2D6TSHRFAAHCYP1A2
SCHEMBL25809390 0.77 CYP3A4 (0.46) CYP3A4CYP2D6TSHRCYP1A2CYP2C9
SCHEMBL25809381 0.76 CYP3A4 (0.50) CYP3A4CYP2D6TSHRCYP1A2CYP2C9

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