SCHEMBL7963636

SCHEMBL7963636

CC(Sc1[c]cccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DAO P14920 2/20 0.40
TAAR1 Q96RJ0 3/20 0.34
MPO P05164 1/20 0.33
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
CYP2D6 P10635 1/20 0.31
LMNA P02545 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 4/20 0.31
SRC P12931 1/20 0.30
ALDH1A2 O94788 3/20 0.30
ALDH1A3 P47895 3/20 0.30
HKDC1 Q2TB90 1/20 0.30

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
SCHEMBL198664 0.79 MAP2K7 (0.34) L3MBTL1LMNAALDH1A1
SCHEMBL6795131 0.77 TSHR (0.38) SRC
SCHEMBL7857555 0.72 SLC6A2 (0.36) L3MBTL1TAAR1ADRA2CCYP2D6KDM4E
SCHEMBL1086589 0.71 DRD1 (0.31)
SCHEMBL11370239 0.70 L3MBTL1 (0.50) KMT2AL3MBTL1DAOTAAR1MPO
SCHEMBL22115704 0.68 TAAR1 (0.46) KMT2AL3MBTL1TAAR1ADRA2AADRA2C
SCHEMBL97062 0.68
SCHEMBL199742 0.67
SCHEMBL4051594 0.67 RAB9A (0.38) L3MBTL1LMNAKDM4EALDH1A1
SCHEMBL11703464 0.67

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
WO-2001027119-A2 SUBSTANCE LIBRARY CONTAINING BICYCLIC IMIDAZO-5-YL-AMINES AND/OR BICYCLIC IMIDAZO-3-YL-AMINES Grünenthal GmbH (DE) 2001-04-19 WO disclosed