SCHEMBL25253155

SCHEMBL25253155

OC(c1cccnc1)C1CCN(CCc2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.76
HTR2C P28335 2/20 0.76
KDM4E B2RXH2 1/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2D6 P10635 1/20 0.76
TSHR P16473 1/20 0.76
HTR7 P34969 1/20 0.55
HRH1 P35367 1/20 0.55
CARM1 Q86X55 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49

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
SCHEMBL25273950 0.88 KDM4E (0.56) HTR2AHTR2CKDM4ECYP1A2CYP3A4
Glemanserin SCHEMBL120012 0.87 HTR2A (1.00) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL25218330 0.86 KDM4E (0.58) HTR2AHTR2CKDM4ECYP1A2CYP3A4
Glemanserin SCHEMBL7838106 0.86 HTR2A (0.97) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL4164304 0.82 KDM4E (0.55) HTR2AHTR2CKDM4ECYP1A2CYP3A4
Bromide SCHEMBL4173363 0.81 KDM4E (0.53) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL9328976 0.80 HTR2A (0.84) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL6057184 0.79 HTR2A (0.84) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL13391060 0.79 KDM4E (0.45) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL25256739 0.79 KDM4E (0.55) KDM4ECYP3A4CYP2D6

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
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed