SCHEMBL8948005

SCHEMBL8948005

O=C(CCCc1ccc(F)cc1)C1CCN(CCn2c(=O)sc3cc(CCCCN4CCOCC4)ccc32)CC1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 2/20 0.49

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
SCHEMBL8947866 0.91 SIGMAR1 (0.56) TMEM97SIGMAR1
SCHEMBL8947838 0.89 SIGMAR1 (0.56) TMEM97SIGMAR1
SCHEMBL8948078 0.89 HTR2A (0.55) TMEM97SIGMAR1
SCHEMBL8947898 0.88 HTR2A (0.55) SIGMAR1
SCHEMBL8947935 0.83 HTR2A (0.59) TMEM97SIGMAR1
SCHEMBL8947787 0.82 SIGMAR1 (0.58) TMEM97SIGMAR1
SCHEMBL8947883 0.82 SIGMAR1 (0.46) TMEM97SIGMAR1
SCHEMBL8947902 0.81 KCNH2 (0.53) TMEM97SIGMAR1
SCHEMBL8948106 0.81 HTR2A (0.49) SIGMAR1
SCHEMBL8948101 0.81 TMEM97 (0.49) TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534517-A (Aryl(alkyl)carbonyl)-heterocyclic compounds and their use in the treatment of anxiety and depression ADIR ET COMPAGNIE (FR) 1996-07-09 US disclosed
US-5387586-A Analgesics, nervous system disorders ADIR ET COMPAGNIE (FR) 1995-02-07 US disclosed
EP-0613898-A1 Aryl or arylalkyl-carbonyl heterocyclic derivatives, processes for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1994-09-07 EP disclosed