SCHEMBL6848040

SCHEMBL6848040

O=C(c1ccc(O)cc1)C1CC1.O=C(c1ccc(OCCCCl)cc1)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.58
MAOB P27338 2/20 0.58
NPC1 O15118 1/20 0.53
BCHE P06276 1/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2C P18825 1/20 0.53
MAOA P21397 1/20 0.53
ACHE P22303 1/20 0.53
RAB9A P51151 1/20 0.53
HRH4 Q9H3N8 1/20 0.53
HRH2 P25021 10/20 0.53
HRH1 P35367 10/20 0.53

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
SCHEMBL5215438 0.94 HRH3 (0.63) HRH3MAOBNPC1BCHEADRA2A
SCHEMBL7245831 0.89 HRH3 (0.61) HRH3MAOBNPC1BCHEADRA2A
SCHEMBL12516206 0.81 ESR1 (0.54)
SCHEMBL1335721 0.80 HRH3 (0.62) HRH3MAOBNPC1BCHEADRA2A
SCHEMBL17949768 0.80 HRH3 (0.61) HRH3MAOBNPC1BCHEADRA2A
SCHEMBL17941713 0.80 HRH3 (0.61) HRH3MAOBNPC1BCHEADRA2A
SCHEMBL7829618 0.79 LTA4H (0.61)
SCHEMBL5370517 0.79 MGLL (0.57) NPC1RAB9A
SCHEMBL1334195 0.79 MGLL (0.57) NPC1RAB9A
SCHEMBL5370523 0.79 MGLL (0.57) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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