SCHEMBL9280115

SCHEMBL9280115

COc1ccc2[nH]cc(CC(N)CCCCN3C(=O)C4C5C=CC(C6C=CC65)C4C3=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.52
▸ HTR2A P28223 4/20 0.52
▸ HTR2B P41595 2/20 0.52
▸ HTR2C P28335 2/20 0.52
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MTNR1B P49286 2/20 0.44
▸ GPR84 Q9NQS5 1/20 0.44
▸ HTR1B P28222 3/20 0.43
▸ HTR7 P34969 2/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR4 Q13639 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43

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
SCHEMBL9517218 0.87 HTR1A (0.42) HTR1AHTR2AHTR2BHTR2CMAPT
SCHEMBL9514774 0.85 HTR1A (0.42) HTR1AHTR2AHTR2BHTR2CMAPT
SCHEMBL9603353 0.83 HTR2A (0.48) HTR1AHTR2AHTR2BHTR2CMAPT
SCHEMBL9516233 0.81 ALDH1A1 (0.42) HTR1AHTR2AHTR2BHTR2CMAPT
SCHEMBL9228149 0.78 HTR1A (0.50) HTR1AHTR2AHTR2BHTR2CMAPT
SCHEMBL9514297 0.74 HTR1A (0.39) HTR1AHTR2AHTR2BHTR2CMAPT
SCHEMBL9517255 0.73 SMN1; SMN2 (0.50) HTR1AHTR2AHTR2BHTR2CMAPT
SCHEMBL23743302 0.73 HTR2A (0.75) HTR1AHTR2AHTR2BHTR2CMAPT
SCHEMBL20970870 0.73 HTR2A (0.75) HTR1AHTR2AHTR2BHTR2CMAPT
SCHEMBL29527215 0.73 HTR2A (0.75) HTR1AHTR2AHTR2BHTR2CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515462-B1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1995-05-31 — — EP claimed
US-5126363-A Central nervous system disorders NOVO NORDISK A/S (DK) 1992-06-30 — — US claimed
EP-0515462-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1992-12-02 — — EP disclosed
US-5126363-A Central nervous system disorders NOVO NORDISK A/S (DK) 1992-06-30 — — US disclosed
WO-1991012252-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-08-22 — — WO disclosed
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