SCHEMBL8948053

SCHEMBL8948053

COc1ccc(C(=O)C2CCN(CCn3c(=O)sc4ccccc43)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
HTR1A P08908 4/20 0.50
HTR7 P34969 4/20 0.50
GAA P10253 1/20 0.50
CNR2 P34972 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM2B Q8NHM5 1/20 0.48

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
SCHEMBL8947958 0.87 SMN1; SMN2 (0.55) LMNAGAANPC1MAPTRAB9A
SCHEMBL8947975 0.84 SIGMAR1 (0.56) HTT
SCHEMBL8947939 0.83 DRD2 (0.53) CNR2
SCHEMBL8948121 0.82 HTR2A (0.57) TSHRLMNAHTR1AHTR7KDM4E
SCHEMBL8948100 0.80 SIGMAR1 (0.48)
SCHEMBL8948051 0.77 HTR2A (0.55) LMNAHTTHTR7ALDH1A1SMN1; SMN2
SCHEMBL8948150 0.77 HTR2A (0.55) LMNAHTTHTR7CNR2ALDH1A1
SCHEMBL11707845 0.77 KDM4E (0.58) KDM4E
SCHEMBL8948192 0.75 HTR1A (0.65) HTR1AHTR7
SCHEMBL12359944 0.74 SIGMAR1 (0.74) CNR2

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
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