SCHEMBL11632645

SCHEMBL11632645

O=C1c2cccc3cccc(c23)C(O)N1CCN1CCN(c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HTR7 P34969 6/20 0.48
▸ HTR1A P08908 6/20 0.48
▸ DRD2 P14416 6/20 0.48
▸ HTR2A P28223 6/20 0.48
▸ HTR6 P50406 6/20 0.48
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ DRD4 P21917 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RAD52 P43351 1/20 0.41
▸ HTT P42858 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
SCHEMBL11629224 0.92 DRD2 (0.56) L3MBTL1HTR7HTR1ADRD2HTR2A
SCHEMBL11631804 0.88 L3MBTL1 (0.59) L3MBTL1HTR7HTR1ADRD2HTR2A
SCHEMBL11630691 0.85 KDM4E (0.61) L3MBTL1HTR7HTR1ADRD2HTR2A
SCHEMBL11628968 0.85 DRD2 (0.58) L3MBTL1HTR7HTR1ADRD2HTR2A
SCHEMBL11630154 0.84 HTR1A (0.47) L3MBTL1HTR7HTR1ADRD2HTR2A
SCHEMBL11629079 0.84 L3MBTL1 (0.51) L3MBTL1HTR7HTR1ADRD2HTR2A
SCHEMBL11632587 0.83 L3MBTL1 (0.50) L3MBTL1HTR7HTR1ADRD2HTR2A
SCHEMBL11635491 0.83 HTR7 (0.59) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL11631256 0.83 HTR1A (0.62) L3MBTL1HTR7HTR1ADRD2HTR2A
SCHEMBL11630627 0.82 HTR7 (0.61) L3MBTL1HTR7HTR1ADRD2HTR2A

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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