SCHEMBL31052008

SCHEMBL31052008

Clc1ccc(N2CCNCC2)c2c1OC(Cl)CO2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.47
DRD3 P35462 4/20 0.47
HTR2A P28223 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
DRD1 P21728 1/20 0.47
ADRB1 P08588 5/20 0.44
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HTR6 P50406 5/20 0.39
DRD4 P21917 1/20 0.38
HTR3A P46098 2/20 0.35
HTR1A P08908 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35

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
SCHEMBL31052240 0.94 ADRB1 (0.44) DRD2DRD3HTR2ASIGMAR1DRD1
SCHEMBL7814738 0.79 DRD2 (0.67) DRD2DRD3HTR2ASIGMAR1DRD1
SCHEMBL31051894 0.78 ADRB1 (0.61) DRD2DRD3HTR2ASIGMAR1DRD1
SCHEMBL31051943 0.78 ADRB1 (0.61) DRD2DRD3HTR2ASIGMAR1DRD1
SCHEMBL31051927 0.77 HTR2C (0.42) DRD2DRD3HTR2ASIGMAR1ADRB1
SCHEMBL31052018 0.77 HTR2C (0.42) DRD2DRD3HTR2ASIGMAR1ADRB1
SCHEMBL31052237 0.74 ADRB1 (0.41) DRD2DRD3HTR2ASIGMAR1DRD1
SCHEMBL31051743 0.74 ADRB1 (0.41) DRD2DRD3HTR2ASIGMAR1DRD1
SCHEMBL31052009 0.69 DRD2 (0.47) DRD2DRD3HTR2ASIGMAR1DRD1
SCHEMBL31051838 0.69 DRD2 (0.47) DRD2DRD3HTR2ASIGMAR1DRD1

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-4678188-A1 PHARMACEUTICAL COMPOSITION FOR TREATING, PREVENTING, OR MANAGING BILIRUBIN-INDUCED NEUROLOGICAL DYSFUNCTION, PSYCHIATRIC DISORDERS ASSOCIATED WITH JAUNDICE, OR PSYCHIATRIC DISORDERS CAUSED BY BILIRUBIN UDP-GLUCURONOSYLTRANSFERASE GENE MUTATIONS Ohnishi, Arata (JP) 2026-01-14 EP disclosed
WO-2024185842-A1 PHARMACEUTICAL COMPOSITION FOR TREATING, PREVENTING, OR MANAGING BILIRUBIN-INDUCED NEUROLOGICAL DYSFUNCTION, PSYCHIATRIC DISORDERS ASSOCIATED WITH JAUNDICE, OR PSYCHIATRIC DISORDERS CAUSED BY BILIRUBIN UDP-GLUCURONOSYLTRANSFERASE GENE MUTATIONS 国立大学法人島根大学 2024-09-12 WO disclosed