SCHEMBL20069694

SCHEMBL20069694

CN1CCC(C)(NC(=O)C2CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.45
DRD2 P14416 1/20 0.41
CHRM1 P11229 1/20 0.37
CCR1 P32246 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
TSHR P16473 1/20 0.31
RET P07949 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
ABL1 P00519 1/20 0.31
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20069715 0.89 DRD2 (0.45) KDM5ADRD2CHRM1CCNA2CDK2
SCHEMBL17672878 0.80 KDM5A (0.52) KDM5ADRD2CHRM1CCR1RET
SCHEMBL22856999 0.79 DRD2 (0.46) KDM5ADRD2CHRM1TSHRRET
SCHEMBL20147472 0.79 KDM5A (0.48) KDM5ADRD2CHRM1CCR1
SCHEMBL24720248 0.78 DRD2 (0.35) DRD2USP2SCN1ASCN2ASCN3A
SCHEMBL20147973 0.77 DRD2 (0.44) KDM5ADRD2CHRM1RETALDH1A1
SCHEMBL20147474 0.75 KDM5A (0.44) KDM5ADRD2CHRM1CCR1ALDH1A1
SCHEMBL17682649 0.74 KDM5A (0.47) KDM5ACHRM1USP2HPGD
SCHEMBL17033041 0.72 PKM (0.44) KDM5ADRD2CHRM1CCNA2CDK2
SCHEMBL21651941 0.71 RET (0.37) KDM5ADRD2CHRM1RETSCN1A

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-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed