SCHEMBL9152402

SCHEMBL9152402

C[CH]C(NCCOC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
ALDH1A1 P00352 7/20 0.43
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
GRM7 Q14831 1/20 0.38
KCNH3 Q9ULD8 1/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
MALT1 Q9UDY8 1/20 0.36
ADRB2 P07550 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL4842155 0.85 HPGD (0.45) HPGDALDH1A1MTORRAB9AGRM7
SCHEMBL31248153 0.77 LMNA (0.61) HPGDALDH1A1CYP3A4ALOX15LMNA
SCHEMBL8268348 0.77 LMNA (0.61) HPGDALDH1A1CYP3A4ALOX15LMNA
SCHEMBL9156237 0.76 ALDH1A1 (0.53) ALDH1A1MTORRAB9AGRM7CYP3A4
SCHEMBL9728882 0.71 HPGD (0.49) HPGDALDH1A1CYP3A4TSHRALOX15
SCHEMBL10523666 0.71 CYP2D6 (0.53) HPGDALDH1A1CYP3A4TSHRALOX15
SCHEMBL1138843 0.69 HPGD (0.57) HPGDALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL6895074 0.67 HPGD (0.44) HPGDALDH1A1LMNAMAPTPKM
SCHEMBL15728805 0.67 MEN1 (0.52) HPGDALDH1A1RAB9AADRB2HTT
SCHEMBL13975117 0.67 MEN1 (0.52) HPGDALDH1A1RAB9AADRB2HTT

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 5 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 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