SCHEMBL9437814

SCHEMBL9437814

Cn1c(=O)oc2cc(CCCCNCCCCN3C(=O)c4ccccc4C3=O)ccc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.50
ACHE P22303 10/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL9437909 0.82 HTR1A (0.46) HTR1AALDH1A1L3MBTL1PKMHPGD
SCHEMBL9437732 0.81 HTR1A (0.46) HTR1AALDH1A1L3MBTL1PKMUSP2
SCHEMBL9437912 0.79 SIGMAR1 (0.56) HTR1AACHE
SCHEMBL9437804 0.77 L3MBTL1 (0.58) HTR1AALDH1A1L3MBTL1PKMTSHR
SCHEMBL9437929 0.77 HTR1A (0.43) HTR1AALDH1A1L3MBTL1PKMHPGD
SCHEMBL9437702 0.77 SIGMAR1 (0.51) HTR1AACHE
SCHEMBL9437780 0.77 SIGMAR1 (0.53) HTR1AACHE
SCHEMBL9437711 0.74 SIGMAR1 (0.53) HTR1AACHE
SCHEMBL9437794 0.74 HTR1A (0.46) HTR1AALDH1A1L3MBTL1PKMUSP2
SCHEMBL9437869 0.74 HTR1A (0.53) HTR1AALDH1A1L3MBTL1PKMUSP2

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