Sugi Predict

Sugi Predict / Compounds / SCHEMBL22813631

SCHEMBL22813631

SCHEMBL22813631

C=Cc1cccc(CCCN2CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 3/20 0.61
▸ DRD2 P14416 1/20 0.61
▸ SLC6A4 P31645 1/20 0.61
▸ LTA4H P09960 1/20 0.53
▸ SIGMAR1 Q99720 6/20 0.51
▸ HRH3 Q9Y5N1 3/20 0.49
▸ HTR7 P34969 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46

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
SCHEMBL614107 0.91 HRH3 (0.59) SLC6A3DRD2SLC6A4SIGMAR1HRH3
SCHEMBL610234 0.89 HRH3 (0.58) SLC6A3DRD2SLC6A4SIGMAR1HRH3
SCHEMBL817044 0.89 HRH3 (0.58) SLC6A3DRD2SLC6A4SIGMAR1HRH3
SCHEMBL28086789 0.85 SLC6A3 (0.54) SLC6A3DRD2SLC6A4SIGMAR1HRH3
SCHEMBL610457 0.84 SIGMAR1 (0.53) SLC6A3DRD2SIGMAR1HRH3
SCHEMBL18917601 0.84 SLC6A3 (0.77) SLC6A3DRD2SLC6A4LTA4HSIGMAR1
SCHEMBL610620 0.81 PRMT6 (0.57) HRH3
SCHEMBL30889265 0.81 PRMT6 (0.57) HRH3
SCHEMBL21427392 0.80 SIGMAR1 (0.58) SLC6A3SLC6A4LTA4HSIGMAR1HRH3
SCHEMBL609148 0.80 SMN1; SMN2 (0.58) HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253734-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2020-12-23 — — EP disclosed