SCHEMBL21724741

SCHEMBL21724741

CN1CCN(c2ccccc2[C@@H](N)C2CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.51
DRD2 P14416 4/20 0.45
DRD3 P35462 3/20 0.45
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
NCF1 P14598 2/20 0.43
MAPK1 P28482 2/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.40
HTR1A P08908 2/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL5793032 0.79 KEAP1 (0.47) MAPTKMT2AMAPK1EGFRGAA
SCHEMBL13006367 0.76 ADRA2C (0.56) ADRA2CDRD2DRD3MAPTKMT2A
SCHEMBL20376817 0.72 ADRA2C (0.51) ADRA2CDRD2DRD3MAPTKMT2A
SCHEMBL2113196 0.71 ADRA2C (0.50) ADRA2CDRD2DRD3MAPTKMT2A
SCHEMBL173027 0.70 ADRB1 (0.62) ADRA2CDRD2DRD3MAPTKMT2A
SCHEMBL30656303 0.70 ADRB1 (0.62) ADRA2CDRD2DRD3MAPTKMT2A
SCHEMBL27762008 0.70 ADRA2C (0.49) ADRA2CDRD2DRD3MAPTKMT2A
SCHEMBL27762010 0.70 ADRA2C (0.49) ADRA2CDRD2DRD3MAPTKMT2A
SCHEMBL24227168 0.69 ADRA2C (0.47) ADRA2CDRD2DRD3MAPTKMT2A
SCHEMBL11369242 0.69 ADRA2C (0.47) ADRA2CDRD2DRD3MAPTKMT2A

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-3837240-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2021-06-23 EP disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed