SCHEMBL14487967

SCHEMBL14487967

CN1CCC(NCc2ccc(C(=O)OCc3ccccc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.50
BACE1 P56817 5/20 0.50
KMT2A Q03164 5/20 0.50
DRD4 P21917 1/20 0.50
LMNA P02545 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC6A5 Q9Y345 1/20 0.48
MEN1 O00255 3/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
BCHE P06276 3/20 0.47
KEAP1 Q14145 1/20 0.47

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
SCHEMBL20847612 0.89 KMT2A (0.59) ACHEBACE1KMT2ADRD4LMNA
SCHEMBL6418433 0.88 DRD4 (0.56) ACHEBACE1KMT2ADRD4LMNA
SCHEMBL1857852 0.84 GPR119 (0.53) KMT2ADRD4LMNAALDH1A1MAPT
SCHEMBL4214296 0.84 CHKA (0.50) KMT2ADRD4LMNAALDH1A1HPGD
SCHEMBL5533747 0.81 DRD4 (0.50) ACHEBACE1KMT2ADRD4CARM1
SCHEMBL8081164 0.81 ACHE (0.68) ACHEBACE1KMT2ACARM1PRMT6
SCHEMBL14488050 0.81 ALDH1A1 (0.53) KMT2ALMNASLC6A2SLC6A3TDP1
SCHEMBL15521641 0.79 KEAP1 (0.48) KMT2AALDH1A1SMN1; SMN2SLC6A5MEN1
SCHEMBL14487845 0.79 CHRNB2 (0.54) KMT2ALMNASLC6A2SLC6A3TDP1
SCHEMBL3962996 0.78 SMN1; SMN2 (0.56) ACHEBACE1KMT2ADRD4LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7232825-B2 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2007-06-19 US disclosed