SCHEMBL6024767

SCHEMBL6024767

CCCc1n[c]c(N)c(CCC)c1C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.38
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6023275 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6024863 0.74 NOS2 (0.39) NOS2KDM4EPOLBALDH1A1
SCHEMBL6024808 0.70 SMN1; SMN2 (0.33)
SCHEMBL16575419 0.68 KDM4E (0.35) NOS2KDM4EPOLBALDH1A1
SCHEMBL6024827 0.65
SCHEMBL6024884 0.65 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6023883 0.65
SCHEMBL6024178 0.63
SCHEMBL12668092 0.63 KDM4E (0.32) NOS2KDM4EPOLB
SCHEMBL6024281 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880523-B1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC (US) 2006-08-16 EP disclosed
EP-0880523-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-02 EP disclosed
WO-1997029109-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-14 WO disclosed