SCHEMBL6939618

SCHEMBL6939618

c1cc(C2CC2)ccc1NC1=NCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.54
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.46
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
LMNA P02545 2/20 0.42
NISCH Q9Y2I1 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38

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 SCHEMBL7873982 0.98 MAPT (0.55) ALOX15MAPTPKMKMT2AADRA2A
SCHEMBL6938671 0.79 KMT2A (0.54) ALOX15MAPTPKMKMT2AADRA2A
SCHEMBL6940699 0.76 ADRA2A (0.44) ALOX15MAPTKMT2AADRA2AADRA2B
SCHEMBL6939241 0.76 ADRA2A (0.44) ALOX15MAPTKMT2AADRA2AADRA2B
SCHEMBL4098831 0.76 KMT2A (0.62) ALOX15MAPTPKMKMT2AADRA2A
SCHEMBL6935250 0.75 ADRA2A (0.57) ALOX15KMT2AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7866932 0.74 ADRA2A (0.56) ALOX15MAPTKMT2AADRA2AADRA2B
SCHEMBL6937198 0.70 ADRA2A (0.59) ALOX15KMT2AADRA2AADRA2BADRA2C
SCHEMBL1669960 0.69 ADRA2A (0.56) ALOX15MAPTPKMKMT2AADRA2A
Hydrochloric Acid SCHEMBL7869920 0.69 ADRA2A (0.58) ALOX15MAPTKMT2AADRA2AADRA2B

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-1101756-B1 Aminopyrrolidine derivatives, processes for their preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-03-19 EP disclosed
EP-1101756-A1 Aminopyrrolidine derivatives, processes for their preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-05-23 EP disclosed