SCHEMBL9801955

SCHEMBL9801955

CC1CN(CCCO)CCO1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
PDK1 Q15118 1/20 0.43
DRD1 P21728 1/20 0.40
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DRD3 P35462 7/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GRM2 Q14416 2/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK1 P28482 1/20 0.31
GBA1 P04062 1/20 0.31

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
SCHEMBL26894002 1.00 KDM1A (0.44) KDM1APDK1DRD1EBPSIGMAR1
SCHEMBL6043875 0.89 KDM1A (0.47) KDM1APDK1DRD1EBPSIGMAR1
SCHEMBL29645051 0.83 SIGMAR1 (0.52) KDM1APDK1DRD1EBPSIGMAR1
SCHEMBL22463774 0.83 SIGMAR1 (0.52) KDM1APDK1DRD1EBPSIGMAR1
SCHEMBL14027741 0.83 SIGMAR1 (0.52) KDM1APDK1DRD1EBPSIGMAR1
SCHEMBL6043208 0.81 KDM1A (0.44) KDM1APDK1DRD1EBPSIGMAR1
SCHEMBL22463763 0.81 EBP (0.59) KDM1APDK1DRD1EBPSIGMAR1
SCHEMBL6043570 0.81 KDM1A (0.44) KDM1APDK1DRD1EBPSIGMAR1
SCHEMBL29307134 0.81 KDM1A (0.44) KDM1APDK1DRD1EBPSIGMAR1
SCHEMBL4024791 0.81 KDM1A (0.44) KDM1APDK1DRD1EBPSIGMAR1

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-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 EP disclosed
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed