SCHEMBL9517218

SCHEMBL9517218

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 9/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTR2A P28223 6/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ SLC6A4 P31645 6/20 0.41
▸ DRD2 P14416 5/20 0.41
▸ HTR7 P34969 5/20 0.41
▸ HTR6 P50406 5/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ MTNR1B P49286 1/20 0.37

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
SCHEMBL9516233 0.93 ALDH1A1 (0.42) HTR1AMEN1LMNAMAPTKMT2A
SCHEMBL9280115 0.87 HTR1A (0.52) HTR1AMEN1LMNAMAPTKMT2A
SCHEMBL9517255 0.86 SMN1; SMN2 (0.50) HTR1AMEN1LMNAMAPTKMT2A
SCHEMBL9514774 0.83 HTR1A (0.42) HTR1AMEN1LMNAMAPTKMT2A
SCHEMBL9513608 0.83 MAPT (0.62) HTR1AMEN1LMNAMAPTKMT2A
SCHEMBL9515127 0.81 LMNA (0.41) HTR1AMEN1LMNAMAPTKMT2A
SCHEMBL9513567 0.79 HTR1A (0.46) HTR1AMEN1LMNAMAPTKMT2A
SCHEMBL9514297 0.73 HTR1A (0.39) HTR1AMEN1LMNAMAPTKMT2A
SCHEMBL9603353 0.72 HTR2A (0.48) HTR1AMEN1LMNAMAPTKMT2A
SCHEMBL9513807 0.69 MEN1 (0.38) MEN1LMNAMAPTKMT2ASMN1; SMN2

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-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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