SCHEMBL8670976

SCHEMBL8670976

CCCCNC(=O)c1[c]cccc1NC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CYP2C9 P11712 1/20 0.46
POLB P06746 1/20 0.43
NAAA Q02083 3/20 0.43
RAB9A P51151 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL8667895 0.91 L3MBTL1 (0.42) TSHRHTTSMN1; SMN2HPGDL3MBTL1
SCHEMBL8666487 0.85 GAA (0.35) HPGDL3MBTL1CYP2C9POLBNPC1
SCHEMBL8669022 0.78 KMT2A (0.46) HTTSMN1; SMN2HPGDCYP2C9POLB
SCHEMBL8672377 0.78 ALDH1A1 (0.38) TSHRHTTSMN1; SMN2HPGDL3MBTL1
SCHEMBL14191187 0.76 TSHR (0.75) TSHRHTTSMN1; SMN2HPGDL3MBTL1
SCHEMBL5175506 0.73 KDM4E (0.39) SMN1; SMN2HPGDL3MBTL1POLBRAB9A
SCHEMBL5965196 0.73 TSHR (0.60) TSHRHTTSMN1; SMN2HPGDL3MBTL1
SCHEMBL8672251 0.73 ALDH1A1 (0.38) TSHRHTTPOLBCYP1A2CYP2C19
SCHEMBL4049576 0.72 L3MBTL1 (0.42) TSHRHTTSMN1; SMN2L3MBTL1POLB
SCHEMBL6882657 0.72 L3MBTL1 (0.42) TSHRHTTSMN1; SMN2HPGDL3MBTL1

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-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP disclosed