SCHEMBL11633522

SCHEMBL11633522

O=C1c2cccc3cccc(c23)C(O)N1CCCN1CCC(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SIGMAR1 Q99720 5/20 0.44
▸ SLC18A3 Q16572 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ DRD2 P14416 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL11632747 0.98 L3MBTL1 (0.47) L3MBTL1SIGMAR1SLC18A3MEN1TP53
SCHEMBL11629868 0.97 SIGMAR1 (0.47) L3MBTL1SIGMAR1SLC18A3MEN1TP53
SCHEMBL11631445 0.97 SIGMAR1 (0.47) L3MBTL1SIGMAR1SLC18A3MEN1TP53
SCHEMBL11631389 0.94 L3MBTL1 (0.55) L3MBTL1SIGMAR1SLC18A3MEN1TP53
SCHEMBL11631902 0.84 L3MBTL1 (0.49) L3MBTL1DRD2ALDH1A1PARP1PARP2
SCHEMBL11631327 0.84 L3MBTL1 (0.49) L3MBTL1MEN1KMT2ADRD2DRD3
SCHEMBL11635336 0.84 HTR7 (0.58) L3MBTL1DRD2DRD4DRD3ALDH1A1
SCHEMBL11632940 0.83 L3MBTL1 (0.47) L3MBTL1SIGMAR1MEN1CYP1A2CYP3A4
SCHEMBL11632481 0.82 L3MBTL1 (0.49) L3MBTL1SIGMAR1DRD2DRD4DRD3
SCHEMBL11630627 0.82 HTR7 (0.61) L3MBTL1DRD2DRD4DRD3ALDH1A1

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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