SCHEMBL6634977

SCHEMBL6634977

O=C(C1=CC[CH]C=C1)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
SETD7 Q8WTS6 1/20 0.35
CHKA P35790 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL6636579 0.84 HPGD (0.38) HPGDPOLB
SCHEMBL6218786 0.83 HPGD (0.46) HPGDHSP90AA1CA2CA12CA1
SCHEMBL4138927 0.69 HRH3 (0.44) HRH3
SCHEMBL15904093 0.69 MAPK1 (0.45) HPGD
SCHEMBL1328632 0.68
SCHEMBL4056562 0.66
SCHEMBL8358137 0.66 SIGMAR1 (0.81) SIGMAR1RXFP1HPGDMKNK1MKNK2
SCHEMBL187983 0.66 ADRB1 (0.36) SIGMAR1
SCHEMBL15904278 0.65 ALDH1A1 (0.47) CA2
SCHEMBL7900624 0.65 SIGMAR1 (0.42) SIGMAR1RXFP1HPGDHSP90AA1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301480-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-04-16 EP claimed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 WO claimed
EP-1474132-A1 HISTAMINE-3 RECEPTOR LIGANDS FOR DIABETIC CONDITIONS Abbott Laboratories (US) 2004-11-10 EP disclosed
EP-1467727-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2004-10-20 EP disclosed
WO-2003059341-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-07-24 WO disclosed
WO-2003059342-A1 HISTAMINE-3 RECEPTOR LIGANDS FOR DIABETIC CONDITIONS ABBOTT LABORATORIES (US) 2003-07-24 WO disclosed
EP-1301480-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-04-16 EP disclosed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 WO disclosed