SCHEMBL6984642

SCHEMBL6984642

COC1CCN(c2cc(-c3ccc(=O)n(C(C)C)n3)n(-c3ccccc3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
AGTR2 P50052 1/20 0.36
CREBBP Q92793 1/20 0.35
CFTR P13569 2/20 0.34
KCNH2 Q12809 1/20 0.34
EGFR P00533 1/20 0.34
OGA O60502 1/20 0.34
ADORA2A P29274 1/20 0.33
TSPO P30536 1/20 0.33
ADORA1 P30542 1/20 0.33
GPR183 P32249 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GPR35 Q9HC97 1/20 0.33
RORC P51449 1/20 0.33
GRIA1 P42261 1/20 0.33
BRD4 O60885 1/20 0.33
SCD5 Q86SK9 1/20 0.32
MAPK8 P45983 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL6986237 0.88 AGTR2 (0.39) HRH3AGTR2CFTRHSD11B1
SCHEMBL6981026 0.87 AGTR2 (0.40) HRH3AGTR2HSD11B1
SCHEMBL6984622 0.85 AGTR2 (0.39) HRH3AGTR2BRD4
SCHEMBL6986283 0.85 HTR2C (0.42) AGTR2SIGMAR1
SCHEMBL6988437 0.84 ALDH1A1 (0.45) CFTRBRD4
SCHEMBL6981802 0.81 ALDH1A1 (0.42) AGTR2RORC
SCHEMBL6986113 0.81 AGTR2 (0.41) AGTR2
SCHEMBL6983767 0.80 DRD4 (0.41) AGTR2
SCHEMBL6988584 0.80 USP2 (0.43) HRH3AGTR2
SCHEMBL6984282 0.80 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