SCHEMBL11801300

SCHEMBL11801300

COc1cccc(CC2(O)CCN(CCCCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 9/20 0.64
▸ DRD2 P14416 6/20 0.64
▸ HTR2A P28223 5/20 0.64
▸ HTR6 P50406 5/20 0.64
▸ HTR7 P34969 4/20 0.64
▸ HEXA P06865 3/20 0.55
▸ HEXB P07686 3/20 0.55
▸ DRD3 P35462 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ RAD52 P43351 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ HPGD P15428 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 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
SCHEMBL11811153 0.86 DRD2 (0.53) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11812209 0.83 DRD2 (0.53) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11630716 0.81 RAD52 (0.43) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11813960 0.78 KDM4E (0.57) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11809762 0.78 HTR1A (0.54) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11806115 0.77 KDM4E (0.56) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11803485 0.76 DRD2 (0.49) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11808412 0.76 DRD2 (0.66) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11811501 0.75 MEN1 (0.50) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11810045 0.74 KDM4E (0.59) HTR1ADRD2HTR2AHTR6HTR7

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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