SCHEMBL7908097

SCHEMBL7908097

CCCCCCCCCCCCCCCCCC(Oc1ccc(N)cc1)Oc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
TDP1 Q9NUW8 5/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CSNK1E P49674 1/20 0.41
CYP3A4 P08684 3/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPK1 P28482 1/20 0.38
SMPD1 P17405 3/20 0.37
NR5A1 Q13285 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GRM2 Q14416 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
SCHEMBL29931157 1.00 SLC2A1 (0.44) SLC2A1TDP1TSHRALDH1A1MAPT
SCHEMBL12112116 1.00 SLC2A1 (0.44) SLC2A1TDP1TSHRALDH1A1MAPT
SCHEMBL10597474 1.00 SLC2A1 (0.44) SLC2A1TDP1TSHRALDH1A1MAPT
SCHEMBL10596695 1.00 SLC2A1 (0.44) SLC2A1TDP1TSHRALDH1A1MAPT
SCHEMBL15939864 1.00 SLC2A1 (0.44) SLC2A1TDP1TSHRALDH1A1MAPT
SCHEMBL25283342 1.00 SLC2A1 (0.44) SLC2A1TDP1TSHRALDH1A1MAPT
SCHEMBL10595641 0.98 TDP1 (0.44) SLC2A1TDP1TSHRALDH1A1MAPT
SCHEMBL27140504 0.95 ALDH1A1 (0.45) SLC2A1TDP1TSHRALDH1A1MAPT
SCHEMBL2535207 0.93 TDP1 (0.45) SLC2A1TDP1TSHRALDH1A1MAPT
SCHEMBL21694035 0.88 TSHR (0.56) SLC2A1TSHRALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999064041-A9 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS ADVANCED MEDICINE INC (US) 2001-05-31 WO disclosed
EP-1100519-A1 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS Advanced Medicine, Inc. (US) 2001-05-23 EP disclosed
WO-1999064041-A1 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed