SCHEMBL9513567

SCHEMBL9513567

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 10/20 0.46
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ THPO P40225 1/20 0.38

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
SCHEMBL9515127 0.90 LMNA (0.41) HTR1AMEN1KMT2ALMNAMAPT
SCHEMBL9228149 0.88 HTR1A (0.50) HTR1AMEN1KMT2ALMNAMAPT
SCHEMBL9514753 0.84 HTR1A (0.45) HTR1AMEN1KMT2ALMNAMAPT
SCHEMBL9513608 0.81 MAPT (0.62) HTR1AMEN1KMT2ALMNAMAPT
SCHEMBL9517255 0.81 SMN1; SMN2 (0.50) HTR1AMEN1KMT2ALMNAMAPT
SCHEMBL9517218 0.79 HTR1A (0.42) HTR1AMEN1KMT2ALMNAMAPT
SCHEMBL9516233 0.78 ALDH1A1 (0.42) HTR1AMEN1KMT2ALMNAMAPT
SCHEMBL9613775 0.76 HTR2A (0.56) HTR1AMEN1KMT2ALMNAMAPT
SCHEMBL10554214 0.75 HTR1A (0.70) HTR1AHTR2ADRD2SLC6A4HTR7
SCHEMBL9596652 0.75 HTR1A (0.52) HTR1AMEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5227488-A AZA SPIRO DECANE AND USE THEREOF IN TREATING CNS DISORDERS NOVO NORDISK A/S (DK) 1993-07-13 — — US claimed
EP-0495826-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-29 — — EP claimed
WO-1991004973-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-04-18 — — WO claimed
US-5227488-A AZA SPIRO DECANE AND USE THEREOF IN TREATING CNS DISORDERS NOVO NORDISK A/S (DK) 1993-07-13 — — US disclosed
EP-0495826-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-29 — — EP disclosed
WO-1991004973-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-04-18 — — WO disclosed
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