SCHEMBL11804452

SCHEMBL11804452

O=C1c2cccc3cccc(c23)C(=O)N1CCCCN1CCCC(O)(Cc2ccc(Cl)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.48
▸ DRD2 P14416 4/20 0.48
▸ HTR2A P28223 4/20 0.48
▸ HTR7 P34969 4/20 0.48
▸ HTR6 P50406 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MAPK1 P28482 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ UBE2N P61088 1/20 0.46
▸ HEXA P06865 1/20 0.44
▸ HEXB P07686 1/20 0.44
▸ HTR4 Q13639 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL11628508 0.81 L3MBTL1 (0.41) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11811153 0.79 DRD2 (0.53) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11808504 0.78 CCR3 (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11812209 0.78 DRD2 (0.53) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11814231 0.77 DRD2 (0.49) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11809762 0.75 HTR1A (0.54) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11806683 0.74 DRD2 (0.49) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11803595 0.74 HTR1A (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11812529 0.73 DRD2 (0.57) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11805624 0.73 HTR7 (0.52) HTR1ADRD2HTR2AHTR7HTR6

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
Send feedback