SCHEMBL6986283

SCHEMBL6986283

CC(C)n1nc(-c2cc(N3CCNCC3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.42
HTR2B P41595 2/20 0.42
HTR2A P28223 1/20 0.42
KHK P50053 9/20 0.40
ADRB1 P08588 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
AGTR2 P50052 1/20 0.37
KDR P35968 1/20 0.37
NCF1 P14598 1/20 0.36
DRD2 P14416 1/20 0.36
HTR6 P50406 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL6981026 0.91 AGTR2 (0.40) KHKAGTR2
SCHEMBL6984622 0.89 AGTR2 (0.39) KHKHTR3AAGTR2HTR6
SCHEMBL6988437 0.88 ALDH1A1 (0.45)
SCHEMBL6986237 0.86 AGTR2 (0.39) AGTR2
SCHEMBL6986113 0.85 AGTR2 (0.41) AGTR2NCF1
SCHEMBL6981802 0.85 ALDH1A1 (0.42) AGTR2
SCHEMBL6984642 0.85 HRH3 (0.39) SIGMAR1AGTR2
SCHEMBL6983767 0.85 DRD4 (0.41) KHKAGTR2DRD2
SCHEMBL6988584 0.84 USP2 (0.43) KHKAGTR2
SCHEMBL6984282 0.84 HSD17B10 (0.43)

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
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed