SCHEMBL9677809

SCHEMBL9677809

N#CC1CN1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
SIGMAR1 Q99720 2/20 0.42
FUCA1 P04066 2/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL11148022 0.90 NAAA (0.47) SIGMAR1
SCHEMBL11147376 0.85 NAAA (0.51) SIGMAR1
SCHEMBL5426458 0.83 SIGMAR1 (0.52) SIGMAR1
SCHEMBL19002393 0.82 SIGMAR1 (0.48) MAPTSIGMAR1
SCHEMBL15709181 0.82 SIGMAR1 (0.55) SIGMAR1
SCHEMBL11147047 0.81 ESR1 (0.36) SIGMAR1
SCHEMBL11147084 0.81 GAA (0.46) SIGMAR1CTSLCTSBCTSK
SCHEMBL11150214 0.81 DPP4 (0.41) MAPTSIGMAR1
SCHEMBL11145753 0.81 CYP19A1 (0.47) SIGMAR1
SCHEMBL19049578 0.80 SIGMAR1 (0.44) SIGMAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0373542-B1 IMIDAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1992-06-17 EP disclosed
US-4996219-A Antibody inhibitors BOEHRINGER MANNHEIM GMBH (DE) 1991-02-26 US disclosed
EP-0373542-A1 Imidazoline derivatives, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1990-06-20 EP disclosed
US-4410532-A N-Substituted aziridine-2-carboxylic acid derivatives and their immuno-stimulation compositions and methods BOEHRINGER MANNHEIM GMBH (DE) 1983-10-18 US disclosed
US-4409236-A N-Substituted aziridine-2-carboxylic acid derivatives and immuno-stimulation composition and method BOEHRINGER MANNHEIM GMBH (DE) 1983-10-11 US disclosed
US-4321194-A N-Substituted aziridine-2-carboxylic acid derivatives for immuno stimulation BOEHRINGER MANNHEIM GMBH (DE) 1982-03-23 US disclosed