SCHEMBL7734158

SCHEMBL7734158

Nc1nc2ccc(CCN3CCC(Oc4ccccc4)CC3)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.52
DRD2 P14416 3/20 0.52
HTR2A P28223 2/20 0.52
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
CYP3A4 P08684 2/20 0.46
LTA4H P09960 3/20 0.45
KCNH2 Q12809 3/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
LMNA P02545 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL7731671 0.83 SIGMAR1 (0.59) HTR1ADRD2HTR2ASLC6A2SLC6A4
SCHEMBL7732468 0.81 HTR1A (0.52) HTR1ADRD2HTR2ASLC6A2SLC6A4
SCHEMBL7731021 0.81 CYP3A4 (0.45) DRD2RAB9ANPC1SMN1; SMN2TP53
SCHEMBL7733541 0.80 HTR2A (0.60) HTR1ADRD2HTR2ASLC6A2SLC6A4
SCHEMBL19852051 0.75 CARM1 (0.64) HTR1ADRD2HTR2ASLC6A4SLC6A3
SCHEMBL9237144 0.71 LMNA (0.52) CARM1PRMT6LMNASIGMAR1MAOA
SCHEMBL13533153 0.71 HTR1A (0.65) HTR1ADRD2HTR2ASLC6A2SLC6A4
SCHEMBL27919179 0.70 DRD2 (0.61) HTR1ADRD2HTR2ASLC6A2SLC6A4
SCHEMBL28636881 0.69 RAB9A (0.56) DRD2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL21186301 0.69 CYP3A4 (0.59) SLC6A2SLC6A3RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407122-B1 NEUROPROTECTIVE AGENTS, ANTIISCHEMIC, AND HYPERGLYCEMIC AGENTS; HUNTINGTON*S, PARKINSON*S, AND ALZHEIMER*S DISEASE;AMYOTROPHIC LATERAL SCLEROSIS TREATMENT; NERVOUS SYSTEM AND BRAIN DISORDERS PHARMACIA & UPJOHN S.P.A. (IT) 2002-06-18 US disclosed
EP-1037890-A1 AMINO-BENZOTHIAZOLE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-09-27 EP disclosed
WO-1999028318-A1 AMINO-BENZOTHIAZOLE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1999-06-10 WO disclosed