SCHEMBL30121271

SCHEMBL30121271

c1ccc2c(c1)CNC2C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.54
HTR2C P28335 9/20 0.49
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HTR6 P50406 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL27360801 0.89 PRCP (0.56) PRCPHTR2CMEN1CYP3A4CYP2D6
SCHEMBL1724425 0.76 PRCP (0.70) PRCPSIGMAR1MEN1
SCHEMBL31374588 0.74 PRCP (0.57) PRCPHTR2CKMT2A
SCHEMBL9600234 0.74 PRCP (0.57) PRCPHTR2CKMT2A
SCHEMBL1738261 0.74 PRCP (0.83) PRCPHTR2CMEN1
SCHEMBL31374586 0.74 PRCP (0.57) PRCPHTR2CKMT2A
SCHEMBL3865487 0.71 PRCP (0.97) PRCPMEN1
SCHEMBL26192104 0.71 PRCP (0.46) PRCPSIGMAR1CYP3A4CYP2D6
SCHEMBL28083503 0.71 PRCP (0.90) PRCPMEN1
SCHEMBL9633303 0.71 GBA1 (0.42) PRCPHTR2CSLC6A2SLC6A4MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370126-A1 SMALL MOLECULE CYCLIN DEPENDENT KINASE 4/6 (CDK4/6) AND IKZF2 (HELIOS) DEGRADERS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-05-22 EP disclosed
WO-2023288305-A1 SMALL MOLECULE CYCLIN DEPENDENT KINASE 4/6 (CDK4/6) AND IKZF2 (HELIOS) DEGRADERS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-01-19 WO disclosed