SCHEMBL23339346

SCHEMBL23339346

O=c1sc2cc(CCCF)ccc2n1CCN1CCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 1/20 1.00
▸ SIGMAR1 Q99720 2/20 0.75
▸ ADRA2A P08913 1/20 0.75
▸ ADRA2B P18089 1/20 0.75
▸ ADRA2C P18825 1/20 0.75
▸ HRH1 P35367 1/20 0.75

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
SCHEMBL12124778 1.00 TMEM97 (1.00) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL1325469 1.00 TMEM97 (1.00) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL1325413 1.00 TMEM97 (1.00) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL29860557 1.00 TMEM97 (1.00) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL29781243 0.99 TMEM97 (0.98) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL1325448 0.99 TMEM97 (0.98) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL12124588 0.88 TMEM97 (0.79) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL16216949 0.88 SIGMAR1 (0.87) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL12359945 0.88 SIGMAR1 (0.87) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL12124623 0.88 TMEM97 (0.79) TMEM97SIGMAR1ADRA2AADRA2BADRA2C

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-3102204-B1 HIGHLY SELECTIVE SIGMA 1 RECEPTOR LIGANDS AND RADIOLIGANDS AS PROBES IN NOCICEPTIVE PROCESSING AND THE PATHOPHYSIOLOGICAL STUDY OF MEMORY DEFICITS AND COGNITIVE DISORDERS THE UNIV OF MISSISSIPPI (US) 2021-05-05 — — EP disclosed
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