SCHEMBL31052211

SCHEMBL31052211

Fc1ccc2c(c1N1CCNCC1)OC(F)CO2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.37
HTR2C P28335 3/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TOP2A P11388 2/20 0.34
TOP2B Q02880 2/20 0.34
HTR2A P28223 3/20 0.32
HTR2B P41595 2/20 0.32
SIGMAR1 Q99720 2/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD3 P35462 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
HTR6 P50406 2/20 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
SCHEMBL31051999 0.89 HTR2C (0.36) ADRB1HTR2CALDH1A1LMNATOP2A
SCHEMBL31051857 0.79 ADRB1 (0.55) ADRB1HTR2CALDH1A1LMNAHTR2A
SCHEMBL31052052 0.77 DRD2 (0.43) ADRB1HTR2ASIGMAR1DRD2DRD1
SCHEMBL31052028 0.77 ADRB1 (0.61) ADRB1HTR2CALDH1A1LMNAHTR2A
SCHEMBL31051838 0.77 DRD2 (0.47) ADRB1HTR2ASIGMAR1DRD2DRD1
SCHEMBL31051841 0.73 HTR6 (0.41) ADRB1HTR2ASIGMAR1DRD2DRD1
SCHEMBL31052010 0.73 ADRB1 (0.37) ADRB1HTR2CALDH1A1LMNAHTR2A
SCHEMBL31051969 0.70 DRD2 (0.43) ADRB1HTR2CHTR2AHTR2BSIGMAR1
SCHEMBL31052018 0.70 HTR2C (0.42) ADRB1HTR2CHTR2AHTR2BSIGMAR1
SCHEMBL31051787 0.70 ADRB1 (0.38) ADRB1HTR2CHTR2AHTR2BHTR3A

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