SCHEMBL7469952

SCHEMBL7469952

Cc1nn([C@H]2CC[C@H](CCC(=O)O)CC2)c(=O)n1-c1ccc2c(c1)CCN(C)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HTR1A P08908 2/20 0.33
DRD3 P35462 2/20 0.33
DGAT1 O75907 1/20 0.32
TMEM97 Q5BJF2 4/20 0.32
SIGMAR1 Q99720 4/20 0.32
BRD9 Q9H8M2 1/20 0.32
DRD2 P14416 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL7469837 0.99 L3MBTL1 (0.35) L3MBTL1MAPTALDH1A1LMNAKMT2A
SCHEMBL7418934 0.90 ACHE (0.40) L3MBTL1MAPTALDH1A1LMNAKMT2A
SCHEMBL7418930 0.90 ACHE (0.40) L3MBTL1MAPTALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL8558971 0.89 ACHE (0.39) L3MBTL1MAPTALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL8560377 0.88 MAPK9 (0.36) DRD3DRD2HTR2AACHE
SCHEMBL8566938 0.83 PPARD (0.33) L3MBTL1MAPTALDH1A1LMNAKMT2A
SCHEMBL8566943 0.83 PPARD (0.33) L3MBTL1MAPTALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL8558943 0.81 DRD2 (0.32) HTR1ADRD3DGAT1DRD2PTGER3
Hydrochloric Acid SCHEMBL8558326 0.81 DRD1 (0.35) L3MBTL1MAPTKMT2APOLBMEN1
SCHEMBL7478828 0.80 ESR1 (0.38) L3MBTL1MAPTKMT2APOLBMEN1

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-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP claimed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO claimed