SCHEMBL31052033

SCHEMBL31052033

Cc1ccc2c(c1N1CCNCC1)OCC(C)O2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.38
HTR2C P28335 4/20 0.36
HTR2A P28223 3/20 0.36
HTR2B P41595 3/20 0.36
HTR3A P46098 2/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 3/20 0.33
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31

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
SCHEMBL31051787 0.89 ADRB1 (0.38) ADRB1HTR2CHTR2AHTR2BHTR3A
SCHEMBL31052165 0.79 ADRB1 (0.55) ADRB1HTR2CHTR2AHTR2BHTR3A
SCHEMBL31052009 0.77 DRD2 (0.47) ADRB1HTR2AHTR3AHTR1AHTR7
SCHEMBL31051920 0.77 ADRB1 (0.61) ADRB1HTR2AHTR3AHTR1AHTR7
SCHEMBL31051722 0.77 DRD2 (0.43) ADRB1HTR2AHTR3AHTR1AHTR7
SCHEMBL31051730 0.74 HTR2C (0.39) ADRB1HTR2CHTR2AHTR2BHTR1A
SCHEMBL31052062 0.73 HTR6 (0.42) ADRB1HTR3AHTR1AHTR3EHTR3B
SCHEMBL31051999 0.70 HTR2C (0.36) ADRB1HTR2CHTR2AHTR2BHTR3A
SCHEMBL31051927 0.70 HTR2C (0.42) ADRB1HTR2CHTR2AHTR2BHTR3A
SCHEMBL31051938 0.70 ADRB1 (0.34) ADRB1HTR2CHTR2AHTR2B

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