SCHEMBL7831372

SCHEMBL7831372

CC(=O)Oc1ccc2c(c1)CCCCN2C(C)=O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.62
▸ TP53 P04637 2/20 0.60
▸ HSD17B10 Q99714 1/20 0.54
▸ POLB P06746 4/20 0.54
▸ LMNA P02545 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ TSHR P16473 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL2203840 0.83 NOTUM (0.83) NOTUMTP53HSD17B10POLBLMNA
SCHEMBL27508585 0.83 NOTUM (0.58) NOTUMTP53HSD17B10POLBLMNA
SCHEMBL11853725 0.83 ESR1 (0.69) NOTUMTP53HSD17B10POLBLMNA
SCHEMBL30488348 0.82 HSD17B10 (0.53) NOTUMTP53HSD17B10POLBLMNA
SCHEMBL11853441 0.81 ALDH1A1 (0.64) HSD17B10POLBLMNAALDH1A1SMN1; SMN2
SCHEMBL7829951 0.80 NOTUM (0.59) NOTUMTP53LMNAALDH1A1TSHR
SCHEMBL27691365 0.79 NOTUM (0.72) NOTUMTP53HSD17B10
SCHEMBL24011118 0.78 LMNA (0.71) NOTUMTP53HSD17B10POLBLMNA
SCHEMBL9261533 0.77 ALOX15 (0.56) TP53HSD17B10POLBLMNASMN1; SMN2
SCHEMBL14590676 0.77 NOTUM (0.68) NOTUMMAPT

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-0799226-B1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-02-07 — — EP disclosed
US-5972951-A Tetracyclic spiro compounds, process for their preparation and their use as 5HT1D receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-10-26 — — US disclosed
EP-0799226-A1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 — — EP disclosed
WO-1996019477-A1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 — — WO disclosed
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