SCHEMBL9437787

SCHEMBL9437787

CN1C[S+]([O-])c2cc(CCCCNCCCN3C(=O)c4ccccc4C3=O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL9437915 0.98 ACHE (0.46) ACHETDP1L3MBTL1
SCHEMBL9437712 0.96 ACHE (0.41) ACHETDP1L3MBTL1SIRT1
SCHEMBL9437833 0.95 ACHE (0.42) ACHE
SCHEMBL9437704 0.94 ACHE (0.46) ACHE
SCHEMBL8870159 0.92 TDP1 (0.51) TDP1L3MBTL1
SCHEMBL9556240 0.89 MAOB (0.40) ACHE
SCHEMBL9437758 0.89 LMNA (0.40) ACHESIRT1
SCHEMBL8869440 0.86 CA1 (0.47)
SCHEMBL9437947 0.82 MAOB (0.44) ACHETDP1L3MBTL1
SCHEMBL9437821 0.82 MAOB (0.46) ACHETDP1L3MBTL1

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-5296477-A Antidepressants ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
US-5268381-A Antidepressant or anxiolytic compound ADIR ET COMPAGNIE (FR) 1993-12-07 US disclosed