SCHEMBL8977010

SCHEMBL8977010

CCCCC(Cc1ccccc1)NCCC

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.65
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ADRB3 P13945 1/20 0.45

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
SCHEMBL6024641 0.89 SIGMAR1 (0.73) SIGMAR1MEN1KMT2A
SCHEMBL19639848 0.89 SIGMAR1 (0.73) SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL9156272 0.88 SIGMAR1 (0.71) SIGMAR1MEN1KMT2A
SCHEMBL21175470 0.87 SIGMAR1 (0.70) SIGMAR1MEN1KMT2AADRB3
Hydrochloric Acid SCHEMBL9249699 0.85 SIGMAR1 (0.67) SIGMAR1MEN1KMT2A
SCHEMBL21243267 0.85 SIGMAR1 (0.54) SIGMAR1MEN1KMT2A
SCHEMBL8976808 0.84 SIGMAR1 (0.65) SIGMAR1MEN1KMT2A
SCHEMBL22539926 0.82 SIGMAR1 (0.51) SIGMAR1MEN1KMT2A
SCHEMBL13359079 0.81 SIGMAR1 (0.61) SIGMAR1MEN1KMT2AADRB3
SCHEMBL13359251 0.81 SIGMAR1 (0.61) SIGMAR1MEN1KMT2AADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284621-B1 NEW PSYCHOSTIMULANT AGENT CHINOIN GYOGYSZER ES VEGYESZET (HU) 1995-01-18 EP claimed
EP-0617615-A1 PHARMACEUTICAL COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1994-10-05 EP claimed
WO-1993012775-A1 PHARMACEUTICAL COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-07-08 WO claimed
US-5220068-A N-propyl-1-phenyl-2-alkylamines CHINOIN GYOGYSZER - ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-06-15 US claimed
US-5075338-A Using aryl secondary amine CHINOIN GYOGYSZER- ES VERGYESZETI TERMEKEK GYARA RT. (HU) 1991-12-24 US claimed
EP-0284621-A1 NEW PSYCHOSTIMULANT AGENT. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1988-10-05 EP claimed
WO-1988002254-A1 NEW PSYCHOSTIMULANT AGENT Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1988-04-07 WO claimed
US-5589513-A TREATMENT OF NEURODEGENERATIVE DISEASES; MONOAMINE OXIDASE INHIBITOR AND UPTAKE INHIBITOR CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1996-12-31 US disclosed
WO-1993012775-A1 PHARMACEUTICAL COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-07-08 WO disclosed