SCHEMBL11638682

SCHEMBL11638682

c1ccc2c(c1)COC1CCCNC21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 5/20 0.46
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.33

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
SCHEMBL31136536 0.79 QDPR (0.33) PRCP
SCHEMBL9477025 0.78 PRCP (0.59) PRCP
SCHEMBL9639284 0.78 PRCP (0.59) PRCP
SCHEMBL9477017 0.78 PRCP (0.59) PRCP
SCHEMBL31137710 0.76 PNMT (0.39) CYP1A2CYP2D6CYP2C19KMT2ALMNA
SCHEMBL31136367 0.76 KMT2A (0.49) CYP2D6KMT2A
SCHEMBL29960816 0.75 HTR2A (0.37) CYP2D6
SCHEMBL31137587 0.74 PRCP (0.50) PRCP
SCHEMBL31513971 0.74 PRCP (0.50) PRCP
Hydrochloric Acid SCHEMBL29960697 0.74 TAAR1 (0.37) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4108997-A Diuretic [2]benzopyrano[4,3-b]pyridines and process therefor AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-08-22 US disclosed
US-4108997-A Diuretic [2]benzopyrano[4,3-b]pyridines and process therefor AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-08-22 US disclosed