SCHEMBL9347292

SCHEMBL9347292

c1ccc(N2CCN2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.50
SIGMAR1 Q99720 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
G6PD P11413 2/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
USP2 O75604 3/20 0.45
CYP2D6 P10635 3/20 0.45
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 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
SCHEMBL2045230 0.88 ALOX5 (0.50) ALOX5SIGMAR1HTR3EHTR3BADRB1
SCHEMBL11884832 0.86 ALOX5 (0.48) ALOX5SIGMAR1HTR3EHTR3BADRB1
Acetic Acid SCHEMBL10948107 0.78 ALOX5 (0.46) ALOX5SIGMAR1HTR3EHTR3BADRB1
SCHEMBL7915883 0.78 ALOX5 (0.46) ALOX5SIGMAR1HTR3EHTR3BADRB1
SCHEMBL5655247 0.78
SCHEMBL5272054 0.76 ALOX5 (0.45) ALOX5SIGMAR1HTR3EHTR3BADRB1
SCHEMBL5273332 0.76 ALOX5 (0.50) ALOX5SIGMAR1HTR3EHTR3BADRB1
SCHEMBL15151279 0.76 ALOX5 (0.50) ALOX5SIGMAR1HTR3EHTR3BADRB1
SCHEMBL11401370 0.74 ALOX5 (0.38) ALOX5SIGMAR1HTR3EHTR3BADRB1
SCHEMBL8903967 0.73 ALOX5 (0.50) ALOX5SIGMAR1HTR3EHTR3BADRB1

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-5356880-A Glycyrrhetinic acid derivatives SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1994-10-18 US disclosed
EP-0548798-A1 Antiviral agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-06-30 EP disclosed
EP-0539180-A1 Antiviral agents SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-04-28 EP disclosed
EP-0518533-A1 Glycyrrhetinic acid derivatives and antiviral compositions thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1992-12-16 EP disclosed