SCHEMBL7704693

SCHEMBL7704693

C1=C(c2cccnc2O[C@@H]2CCNC2)CCOC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.44
NMT1 P30419 3/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 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
Hydrochloric Acid SCHEMBL15134944 1.00 PDE10A (0.44) PDE10ANMT1CHRNB2CHRNA4HTR1A
Hydrochloric Acid SCHEMBL15134903 1.00 PDE10A (0.44) PDE10ANMT1CHRNB2CHRNA4HTR1A
SCHEMBL7703924 1.00 PDE10A (0.44) PDE10ANMT1CHRNB2CHRNA4HTR1A
Hydrochloric Acid SCHEMBL15134902 1.00 PDE10A (0.44) PDE10ANMT1CHRNB2CHRNA4HTR1A
SCHEMBL17874622 0.93 NMT1 (0.47) PDE10ANMT1
Hydrochloric Acid SCHEMBL2631179 0.91 PDE10A (0.47) PDE10ANMT1HTR1ASLC6A2
SCHEMBL2630914 0.91 PDE10A (0.47) PDE10ANMT1HTR1ASLC6A2
Hydrochloric Acid SCHEMBL15134976 0.84 CHRM1 (0.36) CHRNB2CHRNA4HTR1ASLC6A2
Hydrochloric Acid SCHEMBL15134975 0.84 CHRM1 (0.36) CHRNB2CHRNA4HTR1ASLC6A2
Hydrochloric Acid SCHEMBL15134977 0.84 CHRM1 (0.36) CHRNB2CHRNA4HTR1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 US disclosed
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 US disclosed
US-8497265-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2013-07-30 US disclosed
US-8497265-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2013-07-30 US disclosed
WO-2011143495-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed