SCHEMBL9084585

SCHEMBL9084585

CCCCC(NCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
AGT P01019 2/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PDCD1 Q15116 6/20 0.38
CD274 Q9NZQ7 6/20 0.38
TLR2 O60603 3/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.36
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL9413763 0.92 AGTR1 (0.45) AGTR1AGTR2AGTHDAC1HDAC6
SCHEMBL9488699 0.86 AGTR1 (0.46) AGTR1AGTR2AGTHDAC1HDAC6
SCHEMBL2831925 0.83 AGTR1 (0.46) AGTR1AGTR2AGTPDCD1CD274
SCHEMBL2831924 0.83 AGTR1 (0.46) AGTR1AGTR2AGTPDCD1CD274
SCHEMBL3948155 0.82 LTB4R2 (0.57) AGTR1AGTR2AGTHDAC1HDAC6
Hydrochloric Acid SCHEMBL2829155 0.82 AGTR1 (0.45) AGTR1AGTR2AGTPDCD1CD274
Hydrochloric Acid SCHEMBL2829151 0.82 AGTR1 (0.45) AGTR1AGTR2AGTPDCD1CD274
SCHEMBL9487777 0.82 AGTR1 (0.44) AGTR1AGTR2AGTPDCD1CD274
SCHEMBL9489945 0.82 SIRT2 (0.47) AGTR1AGTR2AGT
SCHEMBL839981 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530016-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed