SCHEMBL31051992

SCHEMBL31051992

Clc1cc2c(c(N3CCN(Cl)CC3)c1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.50
ADRB1 P08588 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
PMP22 Q01453 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DRD2 P14416 3/20 0.35

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
SCHEMBL31051799 0.86 HTR1A (0.52) HTR1AADRB1ALDH1A1LMNACYP3A4
SCHEMBL31052148 0.86 HTR1A (0.52) HTR1AADRB1ALDH1A1LMNACYP3A4
SCHEMBL31051759 0.83 ADRB1 (0.38) HTR1AADRB1ALDH1A1LMNACYP3A4
SCHEMBL1455855 0.83 ADRB1 (0.59) HTR1AADRB1CYP3A4CYP2C9DRD2
SCHEMBL31052147 0.83 HTR1A (0.39) HTR1AADRB1ALDH1A1LMNACYP3A4
SCHEMBL7480877 0.81 HTR1A (0.46) HTR1AADRB1ALDH1A1LMNACYP3A4
Hydrochloric Acid SCHEMBL4171025 0.81 ADRB1 (0.57) HTR1AADRB1CYP3A4CYP2C9DRD2
SCHEMBL7821489 0.81 HTR1A (0.46) HTR1ADRD2
SCHEMBL7807803 0.78 HTR1A (0.62) HTR1ADRD2
SCHEMBL7818467 0.77 HTR1A (0.47) HTR1AALDH1A1DRD2

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