SCHEMBL9228149

SCHEMBL9228149

COc1ccc2[nH]cc(CC(N)CCCCN3C(=O)CC4(CCCC4)CC3=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 9/20 0.50
▸ HTR2A P28223 3/20 0.50
▸ HTR2B P41595 2/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.42
▸ HTR1B P28222 2/20 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
SCHEMBL9513567 0.88 HTR1A (0.46) HTR1AHTR2AHTR2BHTR2CMAPT
SCHEMBL9514753 0.85 HTR1A (0.45) HTR1AHTR2AHTR2BHTR2CMAPT
SCHEMBL9613775 0.82 HTR2A (0.56) HTR1AHTR2AHTR2BMAPTMEN1
SCHEMBL9596652 0.81 HTR1A (0.52) HTR1AHTR2AHTR2BHTR2CMAPT
SCHEMBL9280115 0.78 HTR1A (0.52) HTR1AHTR2AHTR2BHTR2CMAPT
SCHEMBL9515127 0.78 LMNA (0.41) HTR1AHTR2AHTR2BHTR2CMAPT
SCHEMBL10554214 0.76 HTR1A (0.70) HTR1AHTR2A
SCHEMBL9517325 0.75 LMNA (0.41) HTR1AHTR2AHTR2BHTR2CMAPT
SCHEMBL10554132 0.75 DRD2 (0.59) HTR1AHTR2AHTR2BHTR2C
SCHEMBL9514280 0.71 HTR1A (0.44) HTR1A

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 4 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
EP-0515462-B1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1995-05-31 — — EP disclosed
US-5250538-A Treating CNS disorders; antiserotinin agents NOVO NORDISK A/S (DK) 1993-10-05 — — US disclosed
US-5126363-A Central nervous system disorders NOVO NORDISK A/S (DK) 1992-06-30 — — US disclosed
Send feedback