SCHEMBL7399780

SCHEMBL7399780

CC(=O)NCC1(O)CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTT P42858 1/20 0.35
P2RX7 Q99572 3/20 0.35
CACNA1H O95180 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
MC4R P32245 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
BDKRB2 P30411 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL8589603 0.93 NPSR1 (0.36) NPSR1MAPK1SLC6A2SLC6A3HTT
SCHEMBL9036317 0.90 NPSR1 (0.34) NPSR1MAPK1SLC6A2SLC6A3HTT
SCHEMBL13942219 0.83
SCHEMBL18463960 0.83 MAPK1 (0.35) MAPK1HTTP2RX7CACNA1HCYP2D6
SCHEMBL8470823 0.83 ALDH1A1 (0.39) MAPK1HTTP2RX7CACNA1HCYP2D6
SCHEMBL19658398 0.81 OPRM1 (0.45) NPSR1HTTP2RX7CYP1A2TDP1
SCHEMBL18418129 0.80 CACNA1H (0.38) MAPK1HTTP2RX7CACNA1HCYP2D6
SCHEMBL15932513 0.79 ALDH1A1 (0.39) NPSR1MAPK1P2RX7MTNR1AMTNR1B
SCHEMBL19127312 0.79 BRD4 (0.41) NPSR1P2RX7
SCHEMBL20146801 0.79 LMNA (0.50) MAPK1HTTTDP1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
CN-1129942-B Aza spiro-compounds acting on the cholinergic system with muscarinic agonist activity ISRAEL INST BIOLOG RES 2011-08-10 CN disclosed
WO-2009052138-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO disclosed
EP-0452101-B1 Spiro bridged and unbridged heterocyclic compounds ISRAEL INST BIOLOG RES (IL) 1999-07-07 EP disclosed
US-5852029-A Aza spiro compounds acting on the cholinergic system with muscarinic agonist activity ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 1998-12-22 US disclosed
CN-1129942-A Aza spiro-compounds acting on the cholinergic system with muscarinic agonist activity ISRAEL INST BIOLOG RES (IL) 1996-08-28 CN disclosed
US-5534520-A Spiro compounds containing five-membered rings ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 1996-07-09 US disclosed
EP-0711292-A1 AZA SPIRO COMPOUNDS ACTING ON THE CHOLINERGIC SYSTEM WITH MUSCARINIC AGONIST ACTIVITY KOSMIN, Gerald, Emmanuel (GB) 1996-05-15 EP disclosed
US-5407938-A Treating central nervous system disorders; Alzheimer*s ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 1995-04-18 US disclosed
WO-1995003303-A2 AZA SPIRO COMPOUNDS ACTING ON THE CHOLINERGIC SYSTEM WITH MUSCARINIC AGONIST ACTIVITY STATE OF ISRAEL, REPRESENTED BY THE PRIME MINISTER'S OFFICE, ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 1995-02-02 WO disclosed
EP-0452101-A2 Spiro bridged and unbridged heterocyclic compounds ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 1991-10-16 EP disclosed
EP-0295833-A1 Aromatic-Spiropiperidine oxazepinones (and thiones) A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-12-21 EP disclosed
US-4746655-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1988-05-24 US disclosed