SCHEMBL28849050

SCHEMBL28849050

OCC1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.55
NOTUM Q6P988 1/20 0.53
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
DCPS Q96C86 1/20 0.48
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 1/20 0.47
PLA2G1B P04054 1/20 0.47
RAB9A P51151 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
DRD2 P14416 2/20 0.44
DRD3 P35462 1/20 0.44
GRM5 P41594 1/20 0.43
HTR1A P08908 2/20 0.43
DRD4 P21917 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL8127094 0.82 CXCR4 (0.61) ADRB1NOTUMADRA1DADRA1AADRA1B
SCHEMBL22663406 0.82 KDM4E (0.50) ADRB1NOTUMADRA1DADRA1AADRA1B
SCHEMBL3096112 0.81 KMT2A (0.62) DCPSPTPN1KDM4EGAA
SCHEMBL4538317 0.79 NOTUM (0.57) ADRB1NOTUMADRA1DADRA1AADRA1B
SCHEMBL7520833 0.78 CHRM4 (0.49) PTPN1KDM4EALDH1A1DRD2DRD3
SCHEMBL1663082 0.78 PTPN1 (0.51) ADRA1DADRA1AADRA1BPTPN1
SCHEMBL3288870 0.78 NCF1 (0.51) PTPN1HTR1AGAA
SCHEMBL17113592 0.77 PDE10A (0.45)
SCHEMBL28396664 0.76 ADRB1 (0.71) ADRB1ADRA1BKDM4EALDH1A1PLA2G1B
SCHEMBL3096106 0.76 NPC1 (0.62) PTPN1KDM4EALDH1A1

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
CN-108069952-B Quinolinone compound and application thereof in medicines 广东东阳光药业有限公司 2022-09-27 CN disclosed