SCHEMBL31052018

SCHEMBL31052018

Clc1ccc2c(c1N1CCNCC1)OC(Cl)CO2

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.42
HTR2B P41595 6/20 0.42
HTR2A P28223 5/20 0.42
ADRB2 P07550 1/20 0.39
ADRB1 P08588 5/20 0.38
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
HTR6 P50406 3/20 0.34

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
SCHEMBL31051927 0.89 HTR2C (0.42) HTR2CHTR2BHTR2AADRB2ADRB1
SCHEMBL7815914 0.79 ADRB1 (0.55) HTR2CHTR2BHTR2AADRB2ADRB1
Hydrochloric Acid SCHEMBL16703942 0.77 ADRB1 (0.54) HTR2CHTR2BHTR2AADRB2ADRB1
SCHEMBL31052008 0.77 DRD2 (0.47) HTR2CHTR2BHTR2AADRB1HTR3E
SCHEMBL31052240 0.77 ADRB1 (0.44) HTR2CHTR2BHTR2AADRB1HTR3E
SCHEMBL31051943 0.77 ADRB1 (0.61) HTR2CHTR2AADRB1HTR3EHTR3B
SCHEMBL31052237 0.73 ADRB1 (0.41) HTR2CHTR2BHTR2AADRB2ADRB1
SCHEMBL31052211 0.70 ADRB1 (0.37) HTR2CHTR2BHTR2AADRB1HTR3E
SCHEMBL31051969 0.70 DRD2 (0.43) HTR2CHTR2BHTR2AADRB1SIGMAR1
SCHEMBL31052010 0.70 ADRB1 (0.37) HTR2CHTR2BHTR2AADRB1SIGMAR1

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