SCHEMBL11632747

SCHEMBL11632747

O=C1c2cccc3cccc(c23)C(O)N1CCCCN1CCC(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SIGMAR1 Q99720 4/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTR7 P34969 5/20 0.44
▸ SLC18A3 Q16572 1/20 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
SCHEMBL11629868 0.99 SIGMAR1 (0.47) L3MBTL1SIGMAR1MEN1TP53CYP1A2
SCHEMBL11631445 0.99 SIGMAR1 (0.47) L3MBTL1SIGMAR1MEN1TP53CYP1A2
SCHEMBL11633522 0.98 L3MBTL1 (0.47) L3MBTL1SIGMAR1MEN1TP53CYP1A2
SCHEMBL11631389 0.94 L3MBTL1 (0.55) L3MBTL1SIGMAR1MEN1TP53CYP1A2
SCHEMBL11631327 0.84 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AHTR7
SCHEMBL11631902 0.84 L3MBTL1 (0.49) L3MBTL1HTR7
SCHEMBL11630627 0.84 HTR7 (0.61) L3MBTL1HTR7
SCHEMBL11632940 0.83 L3MBTL1 (0.47) L3MBTL1SIGMAR1MEN1CYP1A2CYP3A4
SCHEMBL11632481 0.82 L3MBTL1 (0.49) L3MBTL1SIGMAR1HTR7
SCHEMBL11635336 0.82 HTR7 (0.58) L3MBTL1HTR7

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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