SCHEMBL9513853

SCHEMBL9513853

COc1ccc2[nH]cc(SCC(N)CCCCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HTR1A P08908 11/20 0.42
▸ HTR2A P28223 7/20 0.42
▸ SLC6A4 P31645 7/20 0.42
▸ DRD2 P14416 6/20 0.42
▸ HTR7 P34969 6/20 0.42
▸ HTR6 P50406 6/20 0.42
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 2/20 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
SCHEMBL9516852 0.86 MAPT (0.40) SMN1; SMN2ALDH1A1GAAMEN1LMNA
SCHEMBL9514774 0.86 HTR1A (0.42) SMN1; SMN2ALDH1A1MEN1LMNAMAPT
SCHEMBL9513635 0.85 MAPT (0.61) SMN1; SMN2ALDH1A1MEN1LMNAMAPT
SCHEMBL9514297 0.84 HTR1A (0.39) SMN1; SMN2ALDH1A1MEN1LMNAMAPT
SCHEMBL9517210 0.84 MAPT (0.42) ALDH1A1MAPTHTR1AHTR2ADRD2
SCHEMBL9517255 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1GAAMEN1LMNA
SCHEMBL9517325 0.83 LMNA (0.41) SMN1; SMN2ALDH1A1MEN1LMNAMAPT
SCHEMBL9514753 0.81 HTR1A (0.45) SMN1; SMN2MEN1LMNAMAPTKMT2A
SCHEMBL9513807 0.72 MEN1 (0.38) SMN1; SMN2ALDH1A1MEN1LMNAMAPT
SCHEMBL9280115 0.70 HTR1A (0.52) SMN1; SMN2MEN1LMNAMAPTKMT2A

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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