SCHEMBL6534185

SCHEMBL6534185

O=C(Cl)[C@@H]1CCc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.53
P2RX7 Q99572 1/20 0.51
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
PLAU P00749 1/20 0.48
GHSR Q92847 1/20 0.48
ANPEP P15144 1/20 0.46
IDH1 O75874 1/20 0.44
GRIN2B Q13224 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL1193346 1.00 FAAH (0.53) FAAHP2RX7MTNR1AMTNR1BPLAU
SCHEMBL17803291 0.92 MTNR1A (0.49) FAAHP2RX7MTNR1AMTNR1BPLAU
SCHEMBL1192966 0.85 FAAH (0.46) FAAHP2RX7MTNR1AMTNR1B
SCHEMBL30599788 0.85 FAAH (0.46) FAAHP2RX7MTNR1AMTNR1B
SCHEMBL367535 0.84 FAAH (0.53) FAAHP2RX7MTNR1AMTNR1BPLAU
SCHEMBL6427539 0.84 FAAH (0.53) FAAHP2RX7MTNR1AMTNR1BPLAU
SCHEMBL5608206 0.84 FAAH (0.53) FAAHP2RX7MTNR1AMTNR1BPLAU
SCHEMBL406043 0.82 MTNR1A (0.57) FAAHP2RX7MTNR1AMTNR1BPLAU
SCHEMBL346421 0.82 PLAU (0.52) FAAHP2RX7MTNR1AMTNR1BPLAU
Hydrochloric Acid SCHEMBL9266537 0.82 ANPEP (0.53) FAAHP2RX7MTNR1AMTNR1BPLAU

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
EP-1088818-B1 Quinolin-4-yl derivatives HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
US-6440995-B1 NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS HOFFMAN-LA ROCHE INC. 2002-08-27 US disclosed
EP-1088818-A1 Quinolin-4-yl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-04-04 EP disclosed