SCHEMBL11632573

SCHEMBL11632573

Cc1cccc(C2=CCN(CCN3C(=O)c4cccc5cccc(c45)C3O)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTR7 P34969 3/20 0.39
▸ SIGMAR1 Q99720 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ PARP1 P09874 1/20 0.36

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
SCHEMBL11633966 0.91 HTR1A (0.56) HTR1AL3MBTL1SIGMAR1PARP1
SCHEMBL11632855 0.88 HTR7 (0.53) HTR1AL3MBTL1HTR7PARP1
SCHEMBL11748179 0.87 HTR1A (0.46) HTR1AL3MBTL1HTR7SIGMAR1PARP1
SCHEMBL11630735 0.87 HTR1A (0.48) HTR1AL3MBTL1HTR7SIGMAR1PARP1
SCHEMBL11633300 0.85 HTR1A (0.50) HTR1AHTR7SIGMAR1PARP1
SCHEMBL11632779 0.85 HTR1A (0.50) HTR1AHTR7SIGMAR1PARP1
SCHEMBL11633559 0.84 HTR1A (0.42) HTR1AL3MBTL1SIGMAR1
SCHEMBL11632426 0.83 L3MBTL1 (0.47) HTR1AL3MBTL1
SCHEMBL11632713 0.83 L3MBTL1 (0.47) HTR1AL3MBTL1HTR7SIGMAR1PARP1
SCHEMBL11629906 0.81 L3MBTL1 (0.43) HTR1AL3MBTL1HTR7PARP1

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-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 — — US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 — — US disclosed
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