SCHEMBL6620339

SCHEMBL6620339

c1ccc(N2CC3OC3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.52
LMNA P02545 2/20 0.46
TFPI2 P48307 1/20 0.44
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NOTUM Q6P988 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
CHRNA7 P36544 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CHRNB2 P17787 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 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
SCHEMBL1238774 0.77 ALDH1A1 (0.45) LMNANOTUMMAPK1MAPTMEN1
SCHEMBL10697816 0.77 TSHR (0.58) BPTFLMNAL3MBTL1MAPK1HSD17B10
SCHEMBL11834568 0.77 BPTF (0.48) BPTFLMNATFPI2HTR3EHTR3B
SCHEMBL18436103 0.77 TSHR (0.58) BPTFLMNAL3MBTL1MAPK1HSD17B10
SCHEMBL16215117 0.77 TSHR (0.58) BPTFLMNAL3MBTL1MAPK1HSD17B10
Hydrochloric Acid SCHEMBL11833428 0.76 BPTF (0.47) BPTFLMNATFPI2HTR3EHTR3B
SCHEMBL5230422 0.76 HSD17B10 (0.43) L3MBTL1CYP3A4MAPK1HSD17B10MGLL
SCHEMBL2330436 0.73 BPTF (0.54) BPTFLMNAHTR3EHTR3BADRB1
SCHEMBL3121777 0.73 BPTF (0.54) BPTFLMNAHTR3EHTR3BADRB1
SCHEMBL2280578 0.73 BPTF (0.54) BPTFLMNAHTR3EHTR3BADRB1

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
EP-0985664-B1 Method of producing pyrrolidine derivatives TORAY FINECHEMICALS CO LTD (JP) 2004-03-31 EP disclosed
US-6479668-B1 Method of producing pyrrolidine derivatives TORAY INDUSTRIES, INC. (JP) 2002-11-12 US disclosed
US-6130338-A OXIDATING THE CORRESPONDING 3-PYRROLINE COMPOUND TO GIVE AN EPOXYPYRROLIDINE COMPOUND TORAY INDUSTRIES, INC. (JP) 2000-10-10 US disclosed