SCHEMBL11632015

SCHEMBL11632015

O=C1c2cccc3cccc(c23)C(O)N1CCN1CCN(c2ccccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.60
▸ DRD2 P14416 4/20 0.60
▸ HTR1A P08908 3/20 0.60
▸ HTR2A P28223 3/20 0.60
▸ HTR6 P50406 3/20 0.60
▸ KDM4E B2RXH2 1/20 0.56
▸ CASP1 P29466 1/20 0.56
▸ CASP7 P55210 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HTR2C P28335 1/20 0.50
▸ DRD3 P35462 4/20 0.48
▸ DRD1 P21728 3/20 0.48
▸ ADRA1D P25100 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ ADRA1B P35368 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 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
SCHEMBL11632263 0.94 HTR7 (0.64) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL11629816 0.94 HTR7 (0.67) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL11631804 0.85 L3MBTL1 (0.59) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL11628968 0.82 DRD2 (0.58) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL11629077 0.81 L3MBTL1 (0.56) KDM4ESMN1; SMN2L3MBTL1MAPTADRA1D
SCHEMBL11635081 0.81 L3MBTL1 (0.56) L3MBTL1MAPTADRA1DADRA1AADRA1B
SCHEMBL11629224 0.80 DRD2 (0.56) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL11632645 0.80 L3MBTL1 (0.50) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL11630691 0.80 KDM4E (0.61) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL11633831 0.80 HTR1A (0.85) HTR7DRD2HTR1AHTR2AHTR6

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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