SCHEMBL5870074

SCHEMBL5870074

COc1ccc(CCNC(=O)C(Cc2cnc[nH]2)NC(CC(C)C)C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ NLN Q9BYT8 2/20 0.48
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL8255793 1.00 POLB (0.52) POLBNLNKMT2A
SCHEMBL5870452 0.90 REN (0.53) NLN
SCHEMBL8249066 0.90 REN (0.53) NLN
SCHEMBL8255250 0.79 ITGB2 (0.54) KMT2A
SCHEMBL5870092 0.78 TAAR1 (0.47) POLB
SCHEMBL9830947 0.73 MME (0.57) POLB
SCHEMBL9830757 0.72 CA2 (0.67) POLB
SCHEMBL16673388 0.71 ITGB2 (0.49) POLB
SCHEMBL21794926 0.69 NLN (0.68) NLN
SCHEMBL1667212 0.69 ALDH1A1 (0.54) KMT2A

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-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 — — US disclosed
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 — — US disclosed
Send feedback