Sugi Predict

Sugi Predict / Compounds / SCHEMBL8980663

SCHEMBL8980663

SCHEMBL8980663

CCCCc1nc(CCc2ccccc2)nn1Cc1ccc(-n2c(C)ccc2-c2nnn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 3/20 0.46
▸ AGTR2 P50052 3/20 0.46
▸ PTPN1 P18031 1/20 0.35
▸ POLB P06746 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
SCHEMBL8981395 0.93 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8981105 0.92 AGTR1 (0.45) AGTR1AGTR2POLB
SCHEMBL8980828 0.92 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8980837 0.92 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL8980870 0.92 AGTR1 (0.45) AGTR1AGTR2POLB
SCHEMBL8980709 0.92 AGTR1 (0.45) AGTR1AGTR2POLB
SCHEMBL8981494 0.91 AGTR1 (0.44) AGTR1AGTR2POLB
SCHEMBL8981639 0.91 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8981348 0.90 AGTR1 (0.44) AGTR1AGTR2POLB
SCHEMBL8981090 0.89 AGTR1 (0.43) AGTR1AGTR2POLB

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-5484937-A ANGIOTENSIN ANTAGONISTS G.D. SEARLE & CO. (US) 1996-01-16 — — US disclosed
US-5175180-A Antagonist, antagonism G. D. SEARLE & CO. (US) 1992-12-29 — — US disclosed
WO-1992011255-A1 N-SUBSTITUTED N-(α-TRIAZOLYL-TOLUYL)PYRROLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-07-09 — — WO disclosed