SCHEMBL7963981

SCHEMBL7963981

Nc1ccccc1C1=NCCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.44
NOS2 P35228 3/20 0.44
NOS1 P29475 2/20 0.44
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC4 P56524 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
ACE2 Q9BYF1 1/20 0.34
AR P10275 1/20 0.33

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
SCHEMBL7452092 0.89 ALDH1A1 (0.44) NOS3NOS2ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL29825088 0.89 ALDH1A1 (0.44) NOS3NOS2ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL2572924 0.87 NOS3 (0.41) NOS3NOS2NOS1ALDH1A1SMN1; SMN2
SCHEMBL2570914 0.85 NOS3 (0.40) NOS3NOS2NOS1SMN1; SMN2HDAC8
SCHEMBL25211097 0.79 SMN1; SMN2 (0.36) NOS3NOS2NOS1SMN1; SMN2HDAC8
SCHEMBL10424020 0.79 NISCH (0.42) NOS3NOS2NOS1ALDH1A1SMN1; SMN2
SCHEMBL25196779 0.79 ALDH1A1 (0.37) NOS3NOS2NOS1ALDH1A1L3MBTL1
SCHEMBL29420719 0.74 SMN1; SMN2 (0.50) NOS3NOS2SMN1; SMN2ADRA2AADRA2B
SCHEMBL218213 0.74 SMN1; SMN2 (0.50) NOS3NOS2SMN1; SMN2ADRA2AADRA2B
SCHEMBL9319771 0.73 CHRNB4 (0.44) NOS3NOS2NOS1ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed