SCHEMBL7100773

SCHEMBL7100773

Nc1ccc(N2CCC(O)C2CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 11/20 0.52
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GFER P55789 2/20 0.38
RAD52 P43351 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC18A3 Q16572 1/20 0.36
THRB P10828 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
Hydrochloric Acid SCHEMBL6700005 0.98 GBA1 (0.51) GBA1GAAMAPTKDM4EGFER
Hydrochloric Acid SCHEMBL6703140 0.98 GBA1 (0.51) GBA1GAAMAPTKDM4EGFER
SCHEMBL7039463 0.77 GBA1 (0.39) GBA1GAAMAPTKDM4EGFER
SCHEMBL6696588 0.77 GBA1 (0.57) GBA1MAPTSMN1; SMN2SLC18A3ALDH1A1
SCHEMBL3337833 0.77 GBA1 (0.57) GBA1MAPTSMN1; SMN2SLC18A3ALDH1A1
Hydrochloric Acid SCHEMBL6698454 0.72 GFER (0.38) GBA1GAAMAPTKDM4EGFER
SCHEMBL4890984 0.71 FFAR1 (0.43) GAAMAPTKDM4ETHRBALDH1A1
SCHEMBL78460 0.71 FFAR1 (0.43) GAAMAPTKDM4ETHRBALDH1A1
SCHEMBL78175 0.70 ALDH1A1 (0.42) GBA1GAAMAPTKDM4EGFER
SCHEMBL4675876 0.70 GBA1 (0.37) GBA1GAATHRB

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
EP-1341508-A1 DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED AT LEAST IN POSITIONS 2 AND 3 L'OREAL (FR) 2003-09-10 EP disclosed
WO-2002045669-A1 DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED AT LEAST IN POSITIONS 2 AND 3 L'OREAL (FR) 2002-06-13 WO disclosed