SCHEMBL6938671

SCHEMBL6938671

c1cc(C2CC2)c(C2CC2)cc1NC1=NCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
LMNA P02545 2/20 0.49
ALOX15 P16050 3/20 0.46
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
POLB P06746 1/20 0.39
NISCH Q9Y2I1 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
Fumaric Acid SCHEMBL7866923 0.88 KMT2A (0.44) KMT2ALMNAALOX15MAPTPKM
SCHEMBL6939618 0.79 ALOX15 (0.54) KMT2ALMNAALOX15MAPTPKM
Hydrochloric Acid SCHEMBL7873982 0.78 MAPT (0.55) KMT2ALMNAALOX15MAPTPKM
SCHEMBL23567618 0.77 CHRNB2 (0.39) KMT2ALMNAMAPTALDH1A1TDP1
SCHEMBL6940699 0.76 ADRA2A (0.44) KMT2ALMNAALOX15MAPTADRA2A
SCHEMBL6937198 0.73 ADRA2A (0.59) KMT2ALMNAALOX15ALDH1A1ADRA2A
SCHEMBL6939241 0.73 ADRA2A (0.44) KMT2ALMNAALOX15MAPTADRA2A
SCHEMBL1669960 0.72 ADRA2A (0.56) KMT2ALMNAALOX15MAPTPKM
Hydrochloric Acid SCHEMBL7869920 0.72 ADRA2A (0.58) KMT2ALMNAALOX15MAPTALDH1A1
SCHEMBL7072194 0.72 KMT2A (0.56) KMT2ALMNAALOX15ALDH1A1ADRA2A

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