SCHEMBL7989896

SCHEMBL7989896

CC(C)(C)OC(=O)N1CCCN(CCCNC(=O)C2=Cc3cnc4cccc(n34)S2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.49
LMNA P02545 4/20 0.46
TP53 P04637 4/20 0.46
THRB P10828 1/20 0.41
STAT3 P40763 1/20 0.40
MAPT P10636 4/20 0.39

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
SCHEMBL7985797 0.97 ACKR3 (0.51) ACKR3LMNATP53THRBSTAT3
SCHEMBL7989610 0.92 ACKR3 (0.50) ACKR3LMNATP53THRBMAPT
SCHEMBL7984557 0.85 ACKR3 (0.40) ACKR3LMNATP53THRBSTAT3
SCHEMBL7981945 0.85 KDM4E (0.44) LMNATP53
SCHEMBL7987167 0.83 KDM4E (0.45) LMNATP53MAPT
SCHEMBL7984736 0.82 SMYD2 (0.46)
SCHEMBL7984706 0.82 DRD3 (0.42) LMNATP53
SCHEMBL7987161 0.82 SMYD2 (0.42)
Hydrochloric Acid SCHEMBL7971940 0.81 SMYD2 (0.41)
Hydrochloric Acid SCHEMBL7982703 0.81 DRD3 (0.42) LMNATP53

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-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed