SCHEMBL8553914

SCHEMBL8553914

CN1CCC(NCCCCOc2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
SSTR4 P31391 1/20 0.52
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SLC6A5 Q9Y345 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 2/20 0.48
HTR2A P28223 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL3467991 0.81 KDM4E (0.51) ALDH1A1KDM4EMAPTHRH3HTR2A
SCHEMBL6654828 0.80 KDM4E (0.49) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL23580209 0.79 MEN1 (0.54) MEN1KMT2AHTR2A
Hydrochloric Acid SCHEMBL27483203 0.78 GNAI3 (0.50) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL3467432 0.77 KDM4E (0.50) ALDH1A1KDM4EMAPTSMN1; SMN2HRH3
SCHEMBL6654821 0.76 USP2 (0.66) USP2ALDH1A1HPGDKDM4EMEN1
SCHEMBL8552701 0.75 CYP3A4 (0.67) ALDH1A1SSTR4MEN1KMT2ALMNA
SCHEMBL13305529 0.75 KDM4E (0.56) ALDH1A1KDM4EMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6726388 0.75 ALDH1A1 (0.64) USP2ALDH1A1HPGDKDM4EMEN1
SCHEMBL7819491 0.74 HRH3 (0.62) USP2ALDH1A1HPGDMEN1KMT2A

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-0842174-A1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PIERRE FABRE MEDICAMENT (FR) 1998-05-20 EP disclosed
WO-1997005134-A1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PIERRE FABRE MEDICAMENT (FR) 1997-02-13 WO disclosed