SCHEMBL9541811

SCHEMBL9541811

CCCCNCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.50
AGTR2 P50052 1/20 0.50
AGT P01019 2/20 0.43
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
PARP1 P09874 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
THRB P10828 2/20 0.36
AKT1 P31749 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 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
SCHEMBL489527 0.97 AGTR1 (0.49) AGTR1AGTR2AGTHRH4HRH3
SCHEMBL3950208 0.96 AGTR1 (0.49) AGTR1AGTR2AGTHRH4HRH3
SCHEMBL8532808 0.94 AGTR1 (0.51) AGTR1AGTR2AGTHRH4HRH3
SCHEMBL9093218 0.88 AGTR1 (0.48) AGTR1AGTR2AGTPDCD1CD274
SCHEMBL4554761 0.85 AGTR1 (0.44) AGTR1AGTR2AGTPDCD1CD274
SCHEMBL13679199 0.83 AGTR1 (0.47) AGTR1AGTR2AGT
SCHEMBL3948155 0.83 LTB4R2 (0.57) AGTR1AGTR2AGTHTR1AHTR7
SCHEMBL13146764 0.83 AGTR1 (0.55) AGTR1AGTR2AGTTP53
SCHEMBL4672053 0.82 AGTR1 (0.47) AGTR1AGTR2AGTTP53
SCHEMBL9084585 0.81 AGTR1 (0.47) AGTR1AGTR2AGTPDCD1CD274

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
WO-1993018035-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed
WO-1993017682-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed
US-5104877-A Psoriasis treatment ABBOTT LABORATORIES (US) 1992-04-14 US disclosed