SCHEMBL25809331

SCHEMBL25809331

C=CC(=O)N1CCC2(CCN(Cc3ccccc3)C2)C1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 12/20 0.64
CYP3A4 P08684 10/20 0.64
TSHR P16473 4/20 0.64
CYP1A2 P05177 4/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
USP2 O75604 1/20 0.58
CHRM2 P08172 1/20 0.56
CHRM3 P20309 1/20 0.56
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.54

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
SCHEMBL21393286 0.94 CYP2D6 (0.68) CYP2D6CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL25809456 0.93 CYP2D6 (0.63) CYP2D6CYP3A4TSHRCYP2C19USP2
SCHEMBL25809447 0.87 CYP3A4 (0.65) CYP2D6CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL4692167 0.86 CYP2D6 (0.70) CYP2D6CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL25809386 0.86 CHRM2 (0.54) CYP2D6CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL25809385 0.86 CYP3A4 (0.48) CYP2D6CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL25809441 0.84 GPR183 (0.58) CYP2D6CYP3A4TSHR
SCHEMBL25809390 0.83 CYP3A4 (0.46) CYP2D6CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL25809438 0.82 ALDH1A1 (0.52) CYP2D6CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL25809381 0.82 CYP3A4 (0.50) CYP2D6CYP3A4TSHRCYP1A2CYP2C9

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