SCHEMBL4653271

SCHEMBL4653271

C[C@@H](N)C(=O)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.73
▸ MGLL Q99685 2/20 0.62
▸ POLB P06746 2/20 0.53
▸ CNR1 P21554 3/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ TP53 P04637 1/20 0.50

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
SCHEMBL1750966 1.00 TAAR1 (0.73) TAAR1MGLLPOLBCNR1MEN1
SCHEMBL1751962 0.88 MGLL (0.58) TAAR1MGLLPOLBCNR1MEN1
SCHEMBL4653148 0.88 MGLL (0.58) TAAR1MGLLPOLBCNR1MEN1
SCHEMBL12805649 0.87 MGLL (0.66) TAAR1MGLLPOLBCNR1MEN1
SCHEMBL1751436 0.85 TAAR1 (1.00) TAAR1POLBMEN1KMT2AMAPT
SCHEMBL4652086 0.85 TAAR1 (1.00) TAAR1POLBMEN1KMT2AMAPT
SCHEMBL5960486 0.84 TAAR1 (0.79) TAAR1POLBMEN1KMT2ATP53
SCHEMBL1802214 0.84 TAAR1 (0.79) TAAR1POLBMEN1KMT2ATP53
SCHEMBL4741417 0.84 TAAR1 (0.79) TAAR1POLBMEN1KMT2ATP53
SCHEMBL11672793 0.84 MGLL (0.62) TAAR1MGLLPOLBCNR1HDAC3

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-1986996-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST Abiogen Pharma S.p.A. (IT) 2008-11-05 — — EP disclosed
WO-2007088571-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2007-08-09 — — WO disclosed
Send feedback