SCHEMBL8508239

SCHEMBL8508239

Nc1ccc(OC[C@@H]2CCCN2c2ccc3ccccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.49
AXL P30530 1/20 0.44
CHRNB1 P11230 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNB3 Q05901 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40

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
SCHEMBL8508238 1.00 PDE10A (0.49) PDE10AAXLCHRNB1CHRNB2CHRNB4
SCHEMBL8508526 0.86 PDE10A (0.47) PDE10AAXLCHRNB1CHRNB2CHRNB4
SCHEMBL8507531 0.86 PDE10A (0.47) PDE10AAXLCHRNB1CHRNB2CHRNB4
SCHEMBL8507524 0.84 CHRNB4 (0.46) PDE10ACHRNB4CHRNA3
SCHEMBL8507520 0.84 CHRNB4 (0.46) PDE10ACHRNB4CHRNA3
SCHEMBL8507536 0.82 KDM4E (0.46) AXLCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL8508499 0.82 KDM4E (0.46) AXLCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL8509333 0.79 LTA4H (0.47) PDE10AAXLCHRNB1CHRNB2CHRNB4
SCHEMBL8509351 0.79 HPGD (0.53) HRH3
SCHEMBL8508492 0.79 HPGD (0.53) HRH3

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
EP-0923580-A1 THIAZOLIDINEDIONE COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-06-23 EP disclosed
WO-1997041120-A1 THIAZOLIDINEDIONE COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-11-06 WO disclosed