SCHEMBL6503043

SCHEMBL6503043

O=C1NC[C@H]2CCCC[C@@H]12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
AR P10275 3/20 0.36
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CDC7 O00311 1/20 0.31

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
SCHEMBL14625407 1.00 MAPT (0.38) MAPTARLMNATSHRALDH1A1
SCHEMBL8789437 1.00 MAPT (0.38) MAPTARLMNATSHRALDH1A1
SCHEMBL438492 1.00 MAPT (0.38) MAPTARLMNATSHRALDH1A1
SCHEMBL7621446 1.00 MAPT (0.38) MAPTARLMNATSHRALDH1A1
SCHEMBL258503 1.00 MAPT (0.38) MAPTARLMNATSHRALDH1A1
SCHEMBL7621444 1.00 MAPT (0.38) MAPTARLMNATSHRALDH1A1
SCHEMBL10925441 0.98 MAPT (0.41) MAPTARLMNATSHRALDH1A1
SCHEMBL2789219 0.95
SCHEMBL27274192 0.95
SCHEMBL25768512 0.86 AR (0.33) ARCDC7

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
WO-2005030719-A1 NOVEL METHOD FOR PREPARING CIS-OCTAHYDRO-ISOINDOLE LES LABORATOIRES SERVIER (FR) 2005-04-07 WO claimed
WO-2005030719-A1 NOVEL METHOD FOR PREPARING CIS-OCTAHYDRO-ISOINDOLE LES LABORATOIRES SERVIER (FR) 2005-04-07 WO disclosed
WO-2005030718-A1 NOVEL METHOD OF PREPARING CIS-OCTAHYDRO-ISOINDOLE LES LABORATOIRES SERVIER (FR) 2005-04-07 WO disclosed
EP-0213506-A1 Saturated cycloalkyl[c]pyrrole-2(1H)-acetic acid amides and derivatives thereof WARNER-LAMBERT COMPANY (US) 1987-03-11 EP disclosed