SCHEMBL4729692

SCHEMBL4729692

O=C(Nc1ccc2ccccc2c1)N1CCCCCN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 5/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHX1 P07099 1/20 0.45
MCL1 Q07820 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
HTR1E P28566 1/20 0.44
HTT P42858 1/20 0.44
S1PR3 Q99500 1/20 0.44

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
SCHEMBL4954488 0.83 POLB (0.58) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL830749 0.81 RAB9A (0.64) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6109583 0.81 POLB (0.59) KMT2AMAPTPOLBNPC1RAB9A
SCHEMBL6852416 0.80 KDM4E (0.62) MEN1KMT2AMAPTL3MBTL1NPC1
SCHEMBL5956401 0.79 POLB (0.66) MEN1KMT2AMAPTPOLBL3MBTL1
Hydrochloric Acid SCHEMBL5492077 0.78 POLB (0.68) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL13787488 0.76 POLB (0.61) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL9188898 0.76 FAAH (0.62) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL11668917 0.76 LMNA (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL10671305 0.76 KMT2A (0.62) MEN1KMT2AMAPTPOLBNPC1

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
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO disclosed