SCHEMBL7986141

SCHEMBL7986141

C[C@@H]1CN(CCCN)C[C@H](C)N1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.50
OPRM1 P35372 3/20 0.43
CYP2D6 P10635 1/20 0.43
ACHE P22303 1/20 0.41

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
SCHEMBL7986145 1.00 SIGMAR1 (0.50) SIGMAR1OPRM1CYP2D6ACHE
SCHEMBL18701025 0.80 ACHE (0.49) SIGMAR1ACHE
SCHEMBL3165429 0.79 MC4R (0.48) SIGMAR1ACHE
SCHEMBL3165425 0.79 MC4R (0.48) SIGMAR1ACHE
SCHEMBL7986503 0.78 KDM4E (0.56) ACHE
SCHEMBL7986506 0.78 KDM4E (0.56) ACHE
SCHEMBL7983055 0.78 SIGMAR1 (0.66) SIGMAR1OPRM1
SCHEMBL7983052 0.78 SIGMAR1 (0.66) SIGMAR1OPRM1
SCHEMBL14067225 0.78 MAPT (0.47) SIGMAR1ACHE
SCHEMBL9641794 0.76 SIGMAR1 (0.41) SIGMAR1

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