SCHEMBL7349999

SCHEMBL7349999

COC(=O)C(C(=O)OCc1ccccc1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
LMNA P02545 3/20 0.46
LIPE Q05469 1/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
F10 P00742 1/20 0.44
ALDH1A1 P00352 4/20 0.43
ADAM33 Q9BZ11 1/20 0.43
HSD17B10 Q99714 1/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FKBP1A P62942 1/20 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
SCHEMBL7343776 0.88 ALDH1A1 (0.52) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL7340543 0.86 ALDH1A1 (0.55) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL7350833 0.85 IDO1 (0.49) ALDH1A1HSD17B10L3MBTL1NPC1RAB9A
SCHEMBL12027622 0.82 MEN1 (0.59) MEN1KMT2ANPSR1LMNALIPE
SCHEMBL22648518 0.82 MEN1 (0.59) MEN1KMT2ANPSR1LMNALIPE
SCHEMBL13049037 0.82 MEN1 (0.59) MEN1KMT2ANPSR1LMNALIPE
SCHEMBL27306803 0.80 ALDH1A1 (0.49) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL28586467 0.80 KMT2A (0.50) MEN1KMT2ANPSR1LMNALIPE
SCHEMBL28586468 0.80 KMT2A (0.50) MEN1KMT2ANPSR1LMNALIPE
SCHEMBL19844598 0.80 KMT2A (0.50) MEN1KMT2ANPSR1LMNALIPE

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
US-5436240-A Schizophrenia, Parkinson's disease, depression or hypotensive agents using tricyclic amines THE UPJOHN COMPANY (US) 1995-07-25 US disclosed
EP-0480939-B1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY UPJOHN CO (US) 1995-01-25 EP disclosed
US-5273975-A Heterocyclic amines having central nervous system activity THE UPJOHN COMPANY (US) 1993-12-28 US disclosed
EP-0480939-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. UPJOHN CO (US) 1992-04-22 EP disclosed
WO-1990015058-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-12-13 WO disclosed