SCHEMBL31052285

SCHEMBL31052285

Cc1cc2c(c(N3CCN(N)CC3)c1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.38
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CREBBP Q92793 1/20 0.37
HTR1A P08908 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
PMP22 Q01453 1/20 0.36
HTR6 P50406 1/20 0.36
DRD2 P14416 3/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 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
SCHEMBL31052231 0.86 DRD2 (0.49) ADRB1LMNAUSP2MAPTTSHR
SCHEMBL31052204 0.84 DRD2 (0.38) ADRB1LMNAUSP2MAPTTSHR
SCHEMBL31051759 0.84 ADRB1 (0.38) ADRB1LMNAUSP2MAPTTSHR
SCHEMBL31052248 0.83 ADRB1 (0.39) ADRB1LMNAMAPTHTR1AALDH1A1
SCHEMBL31052163 0.82 NPC1 (0.43) MAPTHTTHTR1ADRD2DRD3
SCHEMBL31052145 0.81 ADRB1 (0.59) ADRB1HTR1ACYP3A4HTR6DRD2
SCHEMBL31051833 0.81 DRD2 (0.38) ADRB1LMNAHTR1AALDH1A1CYP3A4
SCHEMBL31052020 0.74 ADRB1 (0.67) ADRB1LMNAHTR1AALDH1A1CYP3A4
SCHEMBL31051911 0.72 DRD2 (0.48) ADRB1LMNAMAPTHTTHTR1A
SCHEMBL31051892 0.71 DRD2 (0.50) ADRB1LMNAUSP2MAPTTSHR

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