SCHEMBL6139799

SCHEMBL6139799

Clc1cc(C#CCN2CCCCCC2)ccc1Br

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
HRH3 Q9Y5N1 11/20 0.45
EGFR P00533 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MMP13 P45452 1/20 0.40
DRD2 P14416 1/20 0.37
GRIN1 Q05586 1/20 0.37

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
SCHEMBL9610081 0.81 LMNA (0.62) LMNAHRH3EGFRKDM4EALDH1A1
SCHEMBL22422293 0.79 LMNA (0.96) LMNAHRH3KDM4EALDH1A1GAA
SCHEMBL18926546 0.77 LMNA (1.00) LMNAHRH3ALDH1A1GRIN1
SCHEMBL6259462 0.76 LMNA (0.51) LMNAHRH3EGFRKDM4EALDH1A1
SCHEMBL6260328 0.76 LMNA (0.51) LMNAHRH3EGFRKDM4EALDH1A1
SCHEMBL6264851 0.76 LMNA (0.51) LMNAHRH3EGFRKDM4EALDH1A1
SCHEMBL4501961 0.76 LMNA (0.81) LMNAHRH3ALDH1A1GRIN1
Hydrochloric Acid SCHEMBL6139307 0.75 LMNA (0.50) LMNAHRH3EGFRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6140018 0.75 LMNA (0.50) LMNAHRH3EGFRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6139551 0.75 LMNA (0.50) LMNAHRH3EGFRKDM4EALDH1A1

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-1196403-B1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI AVENTIS (FR) 2005-11-09 EP disclosed
US-6908914-B1 Antipsychotic cyclic N-aralkylamines SANOFI-SYNTHELABO (FR) 2005-06-21 US disclosed
EP-1196403-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES Sanofi-Aventis (FR) 2002-04-17 EP disclosed
WO-2001002380-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI-SYNTHELABO (FR) 2001-01-11 WO disclosed