SCHEMBL9353086

SCHEMBL9353086

OC1CCC(NCc2cc(Br)cc(Br)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
GBA1 P04062 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CNR1 P21554 1/20 0.59
TBXA2R P21731 1/20 0.59
HRH2 P25021 1/20 0.59
SLC6A4 P31645 1/20 0.59
KCNH2 Q12809 1/20 0.59
HIF1A Q16665 1/20 0.59
TSHR P16473 3/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39

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
SCHEMBL1518578 0.91 LMNA (0.46) LMNAGBA1CYP1A2CYP2D6CNR1
SCHEMBL1421055 0.83 CARM1 (0.56) LMNAGBA1CYP1A2CYP2D6CNR1
SCHEMBL11590368 0.83 CYP2D6 (0.52) LMNAGBA1CYP1A2CYP2D6CNR1
SCHEMBL11590369 0.83 CYP2D6 (0.52) LMNAGBA1CYP1A2CYP2D6CNR1
SCHEMBL1518347 0.79 POLB (0.46) LMNAGBA1CYP1A2CYP2D6CNR1
SCHEMBL1070499 0.79 LMNA (0.41) LMNAGBA1CYP1A2CYP2D6CNR1
SCHEMBL11591843 0.77 CYP2D6 (0.47) LMNAGBA1CYP1A2CYP2D6CNR1
SCHEMBL11591841 0.77 CYP2D6 (0.47) LMNAGBA1CYP1A2CYP2D6CNR1
SCHEMBL11593227 0.76 MEN1 (0.43) LMNAGBA1CYP1A2CYP2D6CNR1
SCHEMBL11593229 0.76 MEN1 (0.43) LMNAGBA1CYP1A2CYP2D6CNR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532644-B1 ANTITUSSIVE AND MUCUS REGULATING AGENT, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT MEDIOLANUM FARMACEUTICI SRL (IT) 1994-10-19 EP claimed