SCHEMBL7743379

SCHEMBL7743379

COc1ccc2cc3c(cc2c1)C(CN)CCC3

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.59
SIGMAR1 Q99720 2/20 0.44

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
SCHEMBL7743420 1.00 HTR6 (0.59) HTR6SIGMAR1
SCHEMBL7743375 0.92 HTR6 (0.49) HTR6
SCHEMBL2207814 0.86 HTR6 (0.71) HTR6SIGMAR1
SCHEMBL3714924 0.86 HTR6 (0.57) HTR6SIGMAR1
Hydrochloric Acid SCHEMBL9522094 0.85 HTR6 (0.70) HTR6SIGMAR1
Hydrochloric Acid SCHEMBL30299240 0.85 HTR6 (0.70) HTR6SIGMAR1
SCHEMBL3288369 0.77 HTR6 (0.60) HTR6
SCHEMBL9630431 0.77 MTNR1A (0.60)
SCHEMBL7952263 0.76 MTNR1A (0.61) SIGMAR1
SCHEMBL10175562 0.76 SIGMAR1 (0.61) HTR6SIGMAR1

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-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed
EP-1047664-A1 NOVEL TRICYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-11-02 EP disclosed
WO-1999036392-A1 NOVEL TRICYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1999-07-22 WO disclosed