SCHEMBL7984793

SCHEMBL7984793

OCC1CCCN(CCCc2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.61
CHRNA4 P43681 7/20 0.61
CHRNB4 P30926 7/20 0.61
CHRNA3 P32297 7/20 0.61
CYP2D6 P10635 1/20 0.59
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KDM4E B2RXH2 2/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL3895352 0.87 CYP2D6 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CYP2D6
SCHEMBL3895356 0.87 CYP2D6 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CYP2D6
SCHEMBL3895378 0.87 CYP2D6 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CYP2D6
Bromide SCHEMBL7251275 0.86 CARM1 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3SLC6A2
SCHEMBL19850973 0.86 CHRNB4 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3SLC6A2
SCHEMBL19851112 0.86 CHRNB4 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3SLC6A2
SCHEMBL28747644 0.85 CHRNB4 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3SLC6A2
Hydrochloric Acid SCHEMBL7986338 0.84 CHRNB4 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3SLC6A2
SCHEMBL10523381 0.82 ALDH1A1 (0.68) KDM4EKMT2A
SCHEMBL5069409 0.82 CCR3 (0.64) CYP2D6SLC6A3KDM4E

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