SCHEMBL7657427

SCHEMBL7657427

O=C1CC(=O)/C(=C/c2ccccc2-c2ccc(CN3CNC=N3)cc2)N1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL8300516 0.70 ACHE (0.31) FLT3
SCHEMBL8300436 0.66 ACHE (0.31) FLT3
SCHEMBL8521740 0.64
SCHEMBL8304493 0.63 BRS3 (0.30)
SCHEMBL8300277 0.63
SCHEMBL8956447 0.63 IKBKB (0.50)
SCHEMBL7657432 0.62 BRS3 (0.34)
SCHEMBL8299757 0.61 FLT3 (0.30) FLT3
SCHEMBL8971517 0.59 LMNA (0.50)
SCHEMBL8971511 0.59 LMNA (0.50)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358984-B1 FOR THERAPY OF HYPERTENSION AND/OR DISEASES SUCH AS HEART AND RENAL DISEASES LEAD CHEMICAL CO., LTD. (JP) 2002-03-19 US disclosed
US-6232335-B1 A BIPHENYL TRIAZOLE COMPOUND USEFUL AS A ANGIOTENSIN II CONVERTING ENZYME INHIBITORS EFFECTIVE IN THE TREATMENT OF HYPERTENSION OR HEART FAILURE LEAD CHEMICAL CO., LTD. (JP) 2001-05-15 US disclosed