SCHEMBL11006655

SCHEMBL11006655

N#CC1CN1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.49
▸ CTSB P07858 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ NAAA Q02083 6/20 0.41
▸ PREP P48147 5/20 0.40
▸ MAOB P27338 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL11008482 0.91 NAAA (0.54) CTSLCTSBCTSKNAAADPP4
SCHEMBL11007540 0.85 CTSK (0.41) CTSLCTSBCTSKPREPMAOB
SCHEMBL11007258 0.83 NAAA (0.48) CTSLCTSBCTSKNAAADPP4
SCHEMBL11005524 0.83 KMT2A (0.43) MAOBSMN1; SMN2DPP4FAPDPP8
SCHEMBL11002451 0.83 KMT2A (0.40) CTSLCTSBCTSKSMN1; SMN2DPP4
SCHEMBL11003582 0.82 IDO1 (0.45) MAOBSMN1; SMN2DPP4FAPDPP8
SCHEMBL11008420 0.81 NAAA (0.50) NAAADPP4FAPDPP8DPP9
SCHEMBL11008481 0.80 DPP4 (0.42) NAAADPP4FAPDPP8DPP9
SCHEMBL11004759 0.79 DPP4 (0.41) DPP4DPP8DPP9
SCHEMBL11165500 0.79 IDO1 (0.44) CTSLCTSBCTSKPREPDPP4

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
US-4517183-A COMBATING DISEASES WITH WEAKNESS OF IMMUNE SYSTEMS BOEHRINGER MANNHEIM GMBH (DE) 1985-05-14 — — US disclosed
US-4397848-A ANTITUMOR ACTIVITY BOEHRINGER MANNHEIM GMBH (DE) 1983-08-09 — — US disclosed
EP-0014976-B1 N-SUBSTITUTED 2-CYANAZIRIDINES, METHODS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM, CORRESPONDINGLY SUBSTITUTED AZIRIDINE-2-CARBONAMIDES AND THEIR PREPARATION Roche Diagnostics GmbH (DE) 1982-04-07 — — EP disclosed
EP-0014976-A1 N-substituted 2-cyanaziridines, methods for their preparation and medicaments containing them, correspondingly substituted aziridine-2-carbonamides and their preparation Roche Diagnostics GmbH (DE) 1980-09-03 — — EP disclosed
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