SCHEMBL9613775

SCHEMBL9613775

COc1ccc2[nH]cc(CCNCCCCN3C(=O)CC4(CCCC4)CC3=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 11/20 0.56
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MTNR1A P48039 2/20 0.49
▸ HTR1A P08908 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ CYP1A1 P04798 1/20 0.48
▸ MPO P05164 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NQO2 P16083 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ MTNR1B P49286 1/20 0.48

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
SCHEMBL9596652 0.85 HTR1A (0.52) HTR2AMAPTMEN1KMT2ALMNA
SCHEMBL9228149 0.82 HTR1A (0.50) HTR2AMAPTMEN1KMT2ALMNA
SCHEMBL10554214 0.76 HTR1A (0.70) HTR2AHTR1A
SCHEMBL4106853 0.76 HTR2A (0.77) HTR2AMTNR1AHTR1AMPO
SCHEMBL9513567 0.76 HTR1A (0.46) HTR2AMAPTMEN1KMT2ALMNA
SCHEMBL10554132 0.75 DRD2 (0.59) HTR2AHTR1AHTR2B
SCHEMBL9514753 0.75 HTR1A (0.45) HTR2AMAPTMEN1KMT2ALMNA
SCHEMBL6948769 0.74 HTR2A (0.67) HTR2AMAPTMEN1KMT2ALMNA
SCHEMBL10278413 0.74 HTR2A (0.68) HTR2AMAPTMEN1KMT2AMTNR1A
SCHEMBL18409742 0.74 HTR2A (0.76) HTR2AMAPTMEN1KMT2AMTNR1A

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
EP-0515462-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1992-12-02 — — EP disclosed
WO-1991012252-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-08-22 — — WO disclosed
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