SCHEMBL9423729

SCHEMBL9423729

Cc1ccc(O)c(NCCCN2CCCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.53
DRD2 P14416 9/20 0.53
USP2 O75604 4/20 0.50
KCNH2 Q12809 4/20 0.50
HRH1 P35367 4/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
CHRM2 P08172 3/20 0.50
ADRA2A P08913 3/20 0.50
ADRA1A P35348 3/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
SLC6A3 Q01959 3/20 0.50
HRH2 P25021 3/20 0.50
HTR2A P28223 3/20 0.50
HTR2B P41595 3/20 0.50
CHRM1 P11229 2/20 0.50
DRD1 P21728 2/20 0.50
OPRM1 P35372 2/20 0.50
ADRA2C P18825 2/20 0.50

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
SCHEMBL8540076 0.96 DRD3 (0.53) DRD3DRD2USP2KCNH2HRH1
SCHEMBL8537572 0.92 DRD3 (0.47) DRD3DRD2USP2KCNH2HRH1
SCHEMBL8537793 0.91 P2RX7 (0.53) DRD3DRD2HTR2A
SCHEMBL8537432 0.84 HRH1 (0.57) DRD3DRD2USP2KCNH2HRH1
SCHEMBL8541391 0.83 ACHE (0.49) DRD3DRD2ADRA1AHTR2ACHRM1
SCHEMBL8536653 0.81 DRD3 (0.50) DRD3DRD2USP2KCNH2HRH1
SCHEMBL8536534 0.79 BCHE (0.53) DRD3DRD2KCNH2HRH1CYP3A4
SCHEMBL8537394 0.77 DRD3 (0.51) DRD3DRD2USP2KCNH2HRH1
SCHEMBL12223670 0.77 HRH3 (0.68) MEN1KMT2A
SCHEMBL9702546 0.75 DRD3 (0.47) DRD3DRD2USP2KCNH2HRH1

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
US-5308840-A Antioxidants, antiallergens and antiinflammatory agents GREEN CROSS CORPORATION (JP) 1994-05-03 US claimed