SCHEMBL7072697

SCHEMBL7072697

[CH2]C(CCN1CCOCC1)N(CC=C)CC=C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.35
KEAP1 Q14145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
USP2 O75604 1/20 0.32
TSHR P16473 2/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL5127363 0.72 SIGMAR1 (0.43) RAB9AKDM4EKEAP1SMN1; SMN2ALDH1A1
SCHEMBL5131192 0.69 RAB9A (0.48) RAB9AKDM4EKEAP1SMN1; SMN2ALDH1A1
SCHEMBL17393052 0.69 ALDH1A1 (0.43) KDM4EKEAP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2595940 0.68 KDM4E (0.46) RAB9AKDM4EKEAP1SMN1; SMN2ALDH1A1
SCHEMBL15515230 0.67 KEAP1 (0.42) KDM4EKEAP1SMN1; SMN2ALDH1A1GLA
SCHEMBL3191016 0.67 RAB9A (0.35) RAB9AKDM4EKEAP1SMN1; SMN2ALDH1A1
SCHEMBL11050940 0.67 KMT2A (0.33) RAB9AALDH1A1KMT2ALMNA
Hydrochloric Acid SCHEMBL11687169 0.66 GLA (0.45) RAB9AKDM4EKEAP1SMN1; SMN2ALDH1A1
Bromide SCHEMBL28242666 0.66 KDM4E (0.45) RAB9AKDM4EKEAP1SMN1; SMN2ALDH1A1
SCHEMBL235080 0.66 KDM4E (0.65) KDM4EKEAP1SMN1; SMN2ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259599-A4 CELL FUSION ASSAYS USING FLUORESCENCE RESONANCE ENERGY TRANSFER MERCK & CO INC (US) 2003-08-20 EP disclosed
EP-1297341-A2 METHODS OF IDENTIFYING GABA B? RECEPTOR SUBTYPE-SPECIFIC AGONISTS MERCK FROSST CANADA INC. (CA) 2003-04-02 EP disclosed
EP-1259599-A1 CELL FUSION ASSAYS USING FLUORESCENCE RESONANCE ENERGY TRANSFER Merck & Co., Inc. (US) 2002-11-27 EP disclosed
WO-2001098779-A2 METHODS OF IDENTIFYING GABAB RECEPTOR SUBTYPE-SPECIFIC AGONISTS MERCK FROSST CANADA & CO. (CA) 2001-12-27 WO disclosed
WO-2001060995-A1 CELL FUSION ASSAYS USING FLUORESCENCE RESONANCE ENERGY TRANSFER MERCK & CO., INC. (US) 2001-08-23 WO disclosed