SCHEMBL7814738

SCHEMBL7814738

Clc1ccc(N2CCNCC2)c2c1OCCO2

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.67
DRD3 P35462 5/20 0.67
HTR2A P28223 3/20 0.67
DRD1 P21728 2/20 0.67
SIGMAR1 Q99720 1/20 0.67
ADRB1 P08588 4/20 0.58
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
HTR6 P50406 5/20 0.50
DRD4 P21917 2/20 0.46
HTR1A P08908 2/20 0.43
HTR3A P46098 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL31052102 0.81 DRD2 (0.47) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31052238 0.80 DRD2 (1.00) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31052087 0.80 DRD2 (0.50) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31051913 0.80 DRD2 (0.67) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31051724 0.80 DRD2 (0.67) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31051854 0.80 DRD2 (0.67) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31051863 0.80 DRD2 (0.67) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31052045 0.79 ALDH1A1 (0.50) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31052240 0.79 ADRB1 (0.44) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31052008 0.79 DRD2 (0.47) DRD2DRD3HTR2ADRD1SIGMAR1

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 7 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
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed
EP-0633260-B1 2,3-Dihydro-1,4-benzodioxan-5-yl-piperazine derivatives having 5-HT1A-antagonistic activity DUPHAR INT RES (NL) 2001-11-07 EP disclosed
US-5462942-A 2,3-dihydro-1,4-benzodioxin-5-yl-piperazine derivatives having 5-HT 1A-antagonistic activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1995-10-31 US disclosed
EP-0633260-A1 2,3-Dihydro-1,4-benzodioxin-5-yl-piperazine derivatives having 5-HT1A-antagonistic activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1995-01-11 EP disclosed