SCHEMBL7338024

SCHEMBL7338024

O=C(O)C1(c2ccncc2)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.47
OPRM1 P35372 2/20 0.45
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC1 Q13547 1/20 0.40
HSD11B1 P28845 1/20 0.39
CYP2D6 P10635 2/20 0.38
ELOVL1 Q9BW60 1/20 0.38
HPGD P15428 1/20 0.37
TACR1 P25103 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
TET3 O43151 1/20 0.36
FBXL19 Q6PCT2 1/20 0.36
CXXC5 Q7LFL8 1/20 0.36

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 SCHEMBL8356143 0.98 AKR1C1 (0.46) AKR1C1OPRM1LMNANPSR1HDAC1
SCHEMBL700243 0.87 AKR1C1 (0.55) AKR1C1LMNANPSR1HSD11B1CYP2D6
Hydrochloric Acid SCHEMBL23779012 0.85 AKR1C1 (0.53) AKR1C1LMNANPSR1HSD11B1CYP2D6
SCHEMBL8636689 0.84 OPRM1 (0.41) OPRM1LMNANPSR1HDAC1HSD11B1
SCHEMBL373567 0.83 AKR1C1 (0.68) AKR1C1OPRM1HDAC1HSD11B1TACR1
SCHEMBL4827944 0.83 AKR1C1 (0.68) AKR1C1LMNANPSR1HSD11B1KMT2A
Hydrochloric Acid SCHEMBL8355478 0.83 OPRM1 (0.40) OPRM1LMNANPSR1HDAC1HSD11B1
Ammonia Solution, Strong SCHEMBL3210975 0.81 AKR1C1 (0.66) AKR1C1OPRM1HDAC1HSD11B1TACR1
Hydrochloric Acid SCHEMBL18281540 0.81 AKR1C1 (0.66) AKR1C1OPRM1HDAC1HSD11B1TACR1
SCHEMBL29514621 0.81 AKR1C1 (0.66) AKR1C1LMNANPSR1HSD11B1KMT2A

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-0844877-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1998-06-03 EP disclosed
WO-1997006802-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1997-02-27 WO disclosed