SCHEMBL31052007

SCHEMBL31052007

CCc1ccc(N2CCNC(C)C2)c2c1OCCO2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
DRD2 P14416 4/20 0.42
DRD3 P35462 4/20 0.42
HTR2A P28223 3/20 0.42
DRD1 P21728 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR2C P28335 2/20 0.41
DRD4 P21917 2/20 0.36
ADRB1 P08588 1/20 0.36
MAPT P10636 1/20 0.36
KHK P50053 1/20 0.35
BCL2A1 Q16548 2/20 0.33
HTR1A P08908 1/20 0.33
WEE1 P30291 3/20 0.33

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
SCHEMBL31051779 0.87 DRD2 (0.40) ALDH1A1LMNADRD2DRD3HTR2A
SCHEMBL31051749 0.82 DRD2 (0.44) ALDH1A1LMNADRD2DRD3HTR2A
SCHEMBL31051810 0.82 DRD2 (0.61) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31052092 0.81 ALDH1A1 (0.44) ALDH1A1LMNADRD2DRD3HTR2A
SCHEMBL31051856 0.81 DRD2 (0.65) ALDH1A1LMNADRD2DRD3HTR2A
SCHEMBL31052045 0.81 ALDH1A1 (0.50) ALDH1A1LMNADRD2DRD3HTR2A
SCHEMBL31052293 0.80 ADRB1 (0.37) ALDH1A1LMNAHTR2CADRB1MAPT
SCHEMBL31051951 0.76 ADRB1 (0.65) ALDH1A1LMNAADRB1HTR1A
SCHEMBL31052080 0.75 DRD2 (0.63) DRD2DRD3HTR2ADRD1SIGMAR1
SCHEMBL31051850 0.73 DRD2 (0.55) 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 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