SCHEMBL8532808

SCHEMBL8532808

CCCNCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.51
AGTR2 P50052 1/20 0.51
AKT1 P31749 1/20 0.41
AGT P01019 2/20 0.40
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
VSIR Q9H7M9 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 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
SCHEMBL9541811 0.94 AGTR1 (0.50) AGTR1AGTR2AKT1AGTPDCD1
SCHEMBL489527 0.93 AGTR1 (0.49) AGTR1AGTR2AKT1AGTPDCD1
SCHEMBL3950208 0.92 AGTR1 (0.49) AGTR1AGTR2AGTPDCD1CD274
SCHEMBL9093218 0.90 AGTR1 (0.48) AGTR1AGTR2AKT1AGTPDCD1
SCHEMBL13146764 0.85 AGTR1 (0.55) AGTR1AGTR2AGT
SCHEMBL4554761 0.83 AGTR1 (0.44) AGTR1AGTR2AGTPDCD1CD274
SCHEMBL839523 0.82 CD274 (0.51) AGTR1AGTR2AKT1AGTPDCD1
SCHEMBL839981 0.81 AGTR1 (0.47) AGTR1AGTR2AGTPDCD1CD274
SCHEMBL839982 0.81 AGTR1 (0.47) AGTR1AGTR2AGTPDCD1CD274
SCHEMBL9024777 0.81 AGTR1 (0.51) AGTR1AGTR2AKT1AGT

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
US-5846991-A Pyrazole derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-08 US disclosed
WO-1993017682-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed
WO-1993018035-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed