SCHEMBL8217786

SCHEMBL8217786

c1ccc2oc(NC3=NCCN3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.58
SMN1; SMN2 Q16637 8/20 0.58
NPC1 O15118 11/20 0.56
PKM P14618 4/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
CYP1A2 P05177 1/20 0.53
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
ADRA2A P08913 4/20 0.48
ADRA2B P18089 4/20 0.48
ADRA2C P18825 4/20 0.48
CHRNA7 P36544 1/20 0.47
HTR3A P46098 1/20 0.47
ADRA1D P25100 1/20 0.47

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
SCHEMBL15022003 0.77 RAB9A (0.78) RAB9ASMN1; SMN2NPC1PKMALDH1A1
SCHEMBL880379 0.75 RAB9A (0.53) RAB9ASMN1; SMN2NPC1PKMALDH1A1
SCHEMBL9911667 0.71 RAB9A (0.72) RAB9ASMN1; SMN2NPC1PKMALDH1A1
SCHEMBL880221 0.71 RAB9A (0.77) RAB9ASMN1; SMN2NPC1PKMALDH1A1
SCHEMBL2658434 0.71 NPC1 (1.00) RAB9ASMN1; SMN2NPC1PKMALDH1A1
SCHEMBL8691363 0.70 ADRA2A (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1NPSR1
SCHEMBL10639656 0.69 RAB9A (0.65) RAB9ASMN1; SMN2NPC1PKMALDH1A1
SCHEMBL15688417 0.69 RAB9A (0.60) RAB9ASMN1; SMN2NPC1PKMALDH1A1
SCHEMBL1539365 0.69 ADRA2A (0.60) RAB9ASMN1; SMN2NPC1CYP1A2LMNA
SCHEMBL7033559 0.69 ALOX15 (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1GAA

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
US-6110952-A PREVENTING OR TREATING NASAL CONGESTION, OTITIS MEDIA AND SINUSITIS WITHOUT UNDESIRED SIDE EFFECTS, ALSO ASTHMA, PAIN, MIGRAINE, SUBSTANCE ABUSE AND ADDICTION, GASTROINTESTINAL DISORDER, ULCER, STOMACH HYPERACIDITY THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US disclosed
US-6110952-A PREVENTING OR TREATING NASAL CONGESTION, OTITIS MEDIA AND SINUSITIS WITHOUT UNDESIRED SIDE EFFECTS, ALSO ASTHMA, PAIN, MIGRAINE, SUBSTANCE ABUSE AND ADDICTION, GASTROINTESTINAL DISORDER, ULCER, STOMACH HYPERACIDITY THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US disclosed
EP-0944622-A1 2-IMIDAZOLINYLAMINOBENZOXAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023611-A1 2-IMIDAZOLINYLAMINOBENZOXAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed