SCHEMBL9044896

SCHEMBL9044896

CCCCc1nc(C)c(-c2c(Cl)cccc2Cl)c(=O)n1Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.50
AGTR2 P50052 6/20 0.50
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 1/20 0.43

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
SCHEMBL9041522 0.92 AGTR1 (0.49) AGTR1AGTR2HPGDNPC1RAB9A
SCHEMBL9044012 0.92 AGTR1 (0.50) AGTR1AGTR2HPGDNPC1RAB9A
SCHEMBL9044886 0.88 MRGPRX4 (0.46) AGTR1AGTR2MRGPRX4
SCHEMBL9043512 0.86 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9044997 0.86 AGTR1 (0.45) AGTR1AGTR2HPGDNPC1RAB9A
SCHEMBL9042348 0.85 AGTR1 (0.48) AGTR1AGTR2HPGDNPC1RAB9A
SCHEMBL9041448 0.84 AGTR1 (0.54) AGTR1AGTR2NPC1RAB9A
SCHEMBL9041289 0.83 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9040733 0.82 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9592773 0.81 EDNRB (0.47)

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
EP-0515535-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1996-01-17 EP disclosed