SCHEMBL31052148

SCHEMBL31052148

CN1CCN(c2cc(Cl)cc3c2OCCO3)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.52
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
HTR2A P28223 1/20 0.48
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RAD52 P43351 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
PMP22 Q01453 1/20 0.39
CYP2C9 P11712 1/20 0.38

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
SCHEMBL31051992 0.86 HTR1A (0.50) HTR1ADRD2ALDH1A1LMNACYP3A4
SCHEMBL31051799 0.84 HTR1A (0.52) HTR1ADRD2DRD3DRD1DRD4
SCHEMBL31052231 0.83 DRD2 (0.49) HTR1ADRD2DRD3DRD1DRD4
SCHEMBL7821489 0.82 HTR1A (0.46) HTR1ADRD2
SCHEMBL31052184 0.81 DRD2 (0.55) HTR1ADRD2DRD3DRD1DRD4
SCHEMBL31051911 0.81 DRD2 (0.48) HTR1ADRD2DRD3DRD1DRD4
SCHEMBL1455855 0.81 ADRB1 (0.59) HTR1ADRD2DRD3DRD1HTR2A
Hydrochloric Acid SCHEMBL4171025 0.80 ADRB1 (0.57) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL7480877 0.80 HTR1A (0.46) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL31052136 0.79 DRD2 (0.51) HTR1ADRD2DRD3DRD1DRD4

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