SCHEMBL7418930

SCHEMBL7418930

Cc1nn([C@H]2CC[C@H](CCC(=O)O)CC2)c(=O)n1-c1ccc2c(c1)CCNCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTR6 P50406 3/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
ITGA2 P17301 1/20 0.33
MCHR1 Q99705 1/20 0.33
NSD3 Q9BZ95 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
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
SCHEMBL7418934 1.00 ACHE (0.40) ACHEL3MBTL1MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL8558971 0.99 ACHE (0.39) ACHEL3MBTL1MAPTALDH1A1LMNA
SCHEMBL7469952 0.90 L3MBTL1 (0.36) ACHEL3MBTL1MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL7469837 0.89 L3MBTL1 (0.35) L3MBTL1MAPTALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL8559942 0.88 ACHE (0.41) ACHEHTR6HTR2CHTR2BMCHR1
Hydrochloric Acid SCHEMBL8561696 0.83 ACHE (0.39) ACHEL3MBTL1MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL8566645 0.80 ACHE (0.40) ACHEHTR6HTR2CHTR2BITGB3
Hydrochloric Acid SCHEMBL8564691 0.80 ACHE (0.42) ACHEHTR6HTR2CHTR2BITGB3
Hydrochloric Acid SCHEMBL8561308 0.79 ACHE (0.41) ACHEHTR6HTR2CHTR2BITGB3
Hydrochloric Acid SCHEMBL8560377 0.79 MAPK9 (0.36) ACHE

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 4 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
EP-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO disclosed