SCHEMBL11634572

SCHEMBL11634572

O=C1COc2ccccc2N1CC1CNCCO1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 7/20 0.48
▸ SLC6A3 Q01959 6/20 0.48
▸ TSHR P16473 2/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SLC6A4 P31645 4/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CBX7 O95931 2/20 0.42
▸ CDYL2 Q8N8U2 2/20 0.42
▸ CDYL Q9Y232 2/20 0.42
▸ CDY1; CDY1B Q9Y6F8 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
SCHEMBL29043141 0.82 TSHR (0.55) TSHRMEN1KMT2AL3MBTL1CYP2C9
SCHEMBL7832589 0.77 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4
SCHEMBL1177318 0.75 CYP1A2 (0.62) SLC6A2SLC6A3MEN1KMT2ASLC6A4
SCHEMBL15790781 0.74 TSHR (0.56) TSHRMEN1KMT2AL3MBTL1CYP2C9
Maleic Acid SCHEMBL9615196 0.74 SLC6A2 (0.45) SLC6A2SLC6A3MEN1KMT2ASLC6A4
Fumaric Acid SCHEMBL9615197 0.74 SLC6A2 (0.45) SLC6A2SLC6A3MEN1KMT2ASLC6A4
SCHEMBL11679858 0.74 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4
SCHEMBL11677994 0.72 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4
SCHEMBL28112902 0.71 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4CYP2C9CYP2C19
SCHEMBL474614 0.70 TSHR (0.60) TSHRMEN1KMT2AL3MBTL1CYP2C9

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-4079135-A Morpholine derivatives as antidepressants IMPERIAL CHEMICAL INDUSTRIES LIMITED (EN) 1978-03-14 — — US disclosed
US-4033951-A ANTIDEPRESSANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (EN) 1977-07-05 — — US disclosed
US-3989699-A ANTIDEPRESSANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (EN) 1976-11-02 — — US disclosed
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