SCHEMBL11166191

SCHEMBL11166191

N#CC1CN1OCc1cccc(F)c1.NOCc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 6/20 0.46
▸ AGXT P21549 5/20 0.46
▸ DPP4 P27487 6/20 0.38
▸ DPP8 Q6V1X1 4/20 0.37
▸ DPP9 Q86TI2 4/20 0.37
▸ DPP7 Q9UHL4 2/20 0.37
▸ FAP Q12884 2/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ MAOB P27338 5/20 0.34
▸ MAOA P21397 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL11003582 0.86 IDO1 (0.45) IDO1AGXTDPP4DPP8DPP9
SCHEMBL11170284 0.73 DPP4 (0.39) IDO1DPP4DPP8DPP9FAP
SCHEMBL11006655 0.73 CTSL (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL11159698 0.70 IDO1 (0.56) IDO1AGXTDPP4DPP8DPP9
SCHEMBL11010247 0.69 OPRK1 (0.41) MAOBMAOA
SCHEMBL11160529 0.68 DPP4 (0.41) IDO1AGXTDPP4DPP8SIGMAR1
SCHEMBL11167252 0.68 KMT2A (0.39) IDO1AGXTDPP4DPP8DPP9
SCHEMBL11157958 0.68 AGXT (0.53) IDO1AGXTDPP4DPP8DPP9
SCHEMBL1520590 0.67 IDO1 (1.00) IDO1AGXTMAOB
SCHEMBL11165396 0.67 IDO1 (0.57) IDO1DPP4DPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4397848-A ANTITUMOR ACTIVITY BOEHRINGER MANNHEIM GMBH (DE) 1983-08-09 — — US disclosed
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