SCHEMBL2549342

SCHEMBL2549342

NCCCCN1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.72
▸ DRD2 P14416 4/20 0.68
▸ HTR2A P28223 4/20 0.68
▸ KMT2A Q03164 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ KCNH2 Q12809 1/20 0.64
▸ KCNA5 P22460 3/20 0.59
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ DRD3 P35462 1/20 0.53

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
Hydrochloric Acid SCHEMBL7982019 0.98 SIGMAR1 (0.70) SIGMAR1DRD2HTR2AKMT2AMEN1
SCHEMBL2550320 0.98 SIGMAR1 (0.70) SIGMAR1DRD2HTR2AKMT2AMEN1
SCHEMBL7972984 0.95 DRD2 (0.69) SIGMAR1DRD2HTR2AKMT2AMEN1
Hydrochloric Acid SCHEMBL7983779 0.94 DRD2 (0.68) SIGMAR1DRD2HTR2AKMT2AMEN1
SCHEMBL10153569 0.89 KMT2A (0.69) SIGMAR1DRD2HTR2AKMT2AMEN1
SCHEMBL18770805 0.89 DRD2 (0.82) SIGMAR1DRD2HTR2AKMT2AMEN1
SCHEMBL16980657 0.85 SIGMAR1 (0.72) SIGMAR1DRD2HTR2AKMT2AMEN1
SCHEMBL25237094 0.84 SIGMAR1 (1.00) SIGMAR1DRD2HTR2AKMT2AMEN1
SCHEMBL10723980 0.84 SIGMAR1 (0.70) SIGMAR1DRD2HTR2AKMT2AMEN1
SCHEMBL10724043 0.84 SIGMAR1 (0.70) SIGMAR1DRD2HTR2AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011121055-A1 PYRIDINYL DERIVATIVES COMPRISING A CYANOGUANIDINE OR SQUARIC ACID MOIETY TOPOTARGET A/S (DK) 2011-10-06 — — WO disclosed
WO-2011121055-A1 PYRIDINYL DERIVATIVES COMPRISING A CYANOGUANIDINE OR SQUARIC ACID MOIETY TOPOTARGET A/S (DK) 2011-10-06 — — WO disclosed
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 — — US disclosed
CN-1223659-A Fused imidazopyridine derivatives as antihyperlipidemic agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-21 — — CN 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
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