SCHEMBL11812209

SCHEMBL11812209

O=C1c2cccc3cccc(c23)C(=O)N1CCCCN1CCC(O)(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.53
▸ HTR1A P08908 8/20 0.53
▸ HTR2A P28223 8/20 0.53
▸ HTR6 P50406 8/20 0.53
▸ HTR7 P34969 7/20 0.53
▸ KDM4E B2RXH2 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ HEXA P06865 1/20 0.45
▸ HEXB P07686 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 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
SCHEMBL11811153 0.86 DRD2 (0.53) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL11809981 0.84 DRD2 (0.55) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL11801300 0.83 HTR1A (0.64) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL11809762 0.82 HTR1A (0.54) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL11741206 0.81 L3MBTL1 (0.46) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL11804452 0.78 HTR1A (0.48) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL11813960 0.78 KDM4E (0.57) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL11810045 0.77 KDM4E (0.59) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL11806115 0.77 KDM4E (0.56) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL11811501 0.77 MEN1 (0.50) DRD2HTR1AHTR2AHTR6HTR7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3935227-A ANTIDEPRESSANTS, ANTIANXIETY, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-01-27 — — US disclosed
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