SCHEMBL9684939

SCHEMBL9684939

Cn1c(=O)sc2cc(CCCCO)ccc21

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.61
HTR1A P08908 7/20 0.53
HTR2C P28335 5/20 0.53

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
SCHEMBL9484568 0.87 SIGMAR1 (0.62) SIGMAR1HTR1AHTR2C
SCHEMBL8870657 0.86 SIGMAR1 (0.54) SIGMAR1HTR1AHTR2C
SCHEMBL7759840 0.86 SIGMAR1 (0.61) SIGMAR1HTR1AHTR2C
SCHEMBL8114163 0.86 SIGMAR1 (0.61) SIGMAR1HTR1AHTR2C
SCHEMBL9437749 0.86 SIGMAR1 (0.63) SIGMAR1HTR1AHTR2C
SCHEMBL9685601 0.85 SIGMAR1 (0.60) SIGMAR1HTR1AHTR2C
Hydrochloric Acid SCHEMBL8870817 0.84 SIGMAR1 (0.60) SIGMAR1HTR1AHTR2C
SCHEMBL7760487 0.84 SIGMAR1 (0.61) SIGMAR1HTR1AHTR2C
SCHEMBL8109676 0.83 SIGMAR1 (0.59) SIGMAR1HTR1AHTR2C
SCHEMBL7765471 0.83 SIGMAR1 (0.54) SIGMAR1HTR1AHTR2C

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
US-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed