SCHEMBL5791554

SCHEMBL5791554

O=C(C1CCN(c2ccc(C(F)(F)F)cc2)CC1)N(Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
CHRM2 P08172 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL5791157 0.86 HIF1A (0.42) MAOBCHRM2HDAC1HDAC8HDAC6
SCHEMBL5791541 0.84 PKM (0.45) CHRM2KDM4EGAAHPGDTSHR
SCHEMBL5789493 0.83 PKM (0.49) CHRM2KDM4EGAAHPGDTSHR
SCHEMBL5792428 0.82 PRKAA2 (0.45) KDM4ETSHRSMN1; SMN2LDHALDHB
SCHEMBL8277406 0.81 PKM (0.47) KDM4EGAAHPGDSMN1; SMN2ALDH1A1
SCHEMBL8275457 0.81 PKM (0.47) KDM4EGAAHPGDTSHRNPC1
SCHEMBL8425448 0.81 HPGD (0.56) KDM4EGAAHPGDTSHRNPC1
SCHEMBL5790537 0.79 CHRM2 (0.42) MAOBCHRM2TSHRHTTNPSR1
SCHEMBL5791743 0.79 PKM (0.43) MAOBKDM4EGAATSHRNPC1
SCHEMBL5789524 0.78 P2RX3 (0.40) MAOBKDM4EGAATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006002956-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-01-12 WO claimed
WO-2006002956-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-01-12 WO disclosed
WO-2006002956-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-01-12 WO disclosed