SCHEMBL11003582

SCHEMBL11003582

N#CC1CN1OCc1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.45
▸ AGXT P21549 2/20 0.45
▸ DPP4 P27487 4/20 0.44
▸ DPP8 Q6V1X1 3/20 0.42
▸ DPP9 Q86TI2 3/20 0.42
▸ DPP7 Q9UHL4 2/20 0.42
▸ FAP Q12884 1/20 0.42
▸ MAOB P27338 7/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CARM1 Q86X55 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ PRMT8 Q9NR22 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11166191 0.86 IDO1 (0.46) IDO1AGXTDPP4DPP8DPP9
SCHEMBL11004925 0.82 IDO1 (0.49) IDO1DPP4DPP8DPP9DPP7
SCHEMBL11006655 0.82 CTSL (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL11010247 0.78 OPRK1 (0.41) MAOB
SCHEMBL11003313 0.75 IDO1 (0.44) IDO1DPP4DPP8DPP9DPP7
SCHEMBL11008077 0.74 CYP4F2 (0.48) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11008482 0.74 NAAA (0.54) IDO1AGXTDPP4DPP8DPP9
SCHEMBL11010407 0.73 SIGMAR1 (0.44) DPP4DPP8ALDH1A1KDM4E
SCHEMBL11007258 0.73 NAAA (0.48) AGXTDPP4DPP8DPP9DPP7
SCHEMBL11005524 0.73 KMT2A (0.43) DPP4DPP8DPP9DPP7FAP

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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