SCHEMBL8976810

SCHEMBL8976810

CC[CH]C(NCCC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
GRM7 Q14831 1/20 0.41
CYP3A4 P08684 5/20 0.39
TSHR P16473 3/20 0.39
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KCNN4 O15554 1/20 0.38
KCNA5 P22460 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 2/20 0.38
LMNA P02545 2/20 0.38
HTR1A P08908 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38

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
SCHEMBL8976770 0.87 SIGMAR1 (0.43) SIGMAR1MTORRAB9AGRM7CYP3A4
SCHEMBL8977015 0.84 CYP1A2 (0.46) SIGMAR1MTORRAB9AGRM7CYP3A4
SCHEMBL9150904 0.84 SIGMAR1 (0.49) SIGMAR1RAB9ACYP3A4TSHRALDH1A1
SCHEMBL8091460 0.83 CYP3A4 (0.45) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL8096618 0.80 SIGMAR1 (0.53) SIGMAR1KCNH2MEN1KMT2A
SCHEMBL1118824 0.74 MTOR (0.74) SIGMAR1MTORRAB9AGRM7CYP3A4
SCHEMBL9158629 0.74 ALDH1A1 (0.48) CYP3A4TSHRALDH1A1POLBMAPT
SCHEMBL8091279 0.73 SIGMAR1 (0.50) SIGMAR1CYP3A4TSHRCYP1A2CYP2C19
SCHEMBL172559 0.72 CYP3A4 (0.68) SIGMAR1MTORRAB9AGRM7CYP3A4
SCHEMBL12964248 0.72 CYP3A4 (0.68) SIGMAR1MTORRAB9AGRM7CYP3A4

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
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
EP-0284621-B1 NEW PSYCHOSTIMULANT AGENT CHINOIN GYOGYSZER ES VEGYESZET (HU) 1995-01-18 EP 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
US-5220068-A N-propyl-1-phenyl-2-alkylamines CHINOIN GYOGYSZER - ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-06-15 US disclosed
US-5075338-A Using aryl secondary amine CHINOIN GYOGYSZER- ES VERGYESZETI TERMEKEK GYARA RT. (HU) 1991-12-24 US disclosed
EP-0284621-A1 NEW PSYCHOSTIMULANT AGENT. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1988-10-05 EP disclosed
WO-1988002254-A1 NEW PSYCHOSTIMULANT AGENT Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1988-04-07 WO disclosed