SCHEMBL31052293

SCHEMBL31052293

CCc1ccc2c(c1N1CCNC(C)C1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.37
KHK P50053 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
PMP22 Q01453 1/20 0.33
CHEK1 O14757 2/20 0.33
HTR2C P28335 2/20 0.33
BCL2A1 Q16548 2/20 0.32
MAPT P10636 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL31052029 0.88 ADRB1 (0.36) ADRB1HTR2CHTR2B
SCHEMBL31051789 0.86 ADRB1 (0.40) ADRB1KHKALDH1A1LMNACHEK1
SCHEMBL31052317 0.83 ADRB1 (0.51) ADRB1HTR2CHTR2B
SCHEMBL31051933 0.82 DRD2 (0.42) ADRB1KHKALDH1A1LMNAKDM4E
SCHEMBL31051949 0.82 BCL2A1 (0.40) ADRB1ALDH1A1LMNACHEK1HTR2C
SCHEMBL31051963 0.82 ADRB1 (0.39) ADRB1KHKALDH1A1LMNACHEK1
SCHEMBL31052007 0.80 ALDH1A1 (0.43) ADRB1KHKALDH1A1LMNAHTR2C
SCHEMBL31051758 0.77 ADRB1 (0.36) ADRB1HTR2CHTR2B
SCHEMBL31052108 0.76 DRD2 (0.42) ALDH1A1HPGDHTR2C
SCHEMBL31051755 0.75 HTT (0.45)

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