SCHEMBL8486375

SCHEMBL8486375

OC1(Cc2ccc(F)cc2)CCNCC1CCCOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
RORC P51449 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
NR4A2 P43354 1/20 0.38
MMP3 P08254 1/20 0.38
MMP10 P09238 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
S1PR5 Q9H228 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
CHRM4 P08173 1/20 0.37
LMNA P02545 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
SCHEMBL8483704 0.84 MAOB (0.41) MAOB
SCHEMBL8486747 0.82 HTR1A (0.37) ALDH1A1KMT2AHTR2CSMN1; SMN2KDM4E
SCHEMBL8486371 0.77 LMNA (0.39) MAOBALDH1A1MEN1RECQLKMT2A
Hydrochloric Acid SCHEMBL8486196 0.74 GRIN2D (0.37) MAOB
SCHEMBL8482605 0.74 LTA4H (0.41) MAOBALDH1A1MEN1RECQLKMT2A
Hydrochloric Acid SCHEMBL8487939 0.73 GAA (0.35) LMNA
SCHEMBL8485582 0.73 FFAR1 (0.40) MAOBALDH1A1MEN1RECQLKMT2A
SCHEMBL7290504 0.72 KDM4E (0.57) ALDH1A1HTR2BNPC1RAB9ASMN1; SMN2
SCHEMBL8520590 0.71 LMNA (0.38) ALDH1A1SMN1; SMN2KDM4ELMNASLC6A2
Hydrochloric Acid SCHEMBL8729781 0.70 LMNA (0.38) ALDH1A1SMN1; SMN2KDM4ELMNASLC6A2

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
US-5889026-A 4-hydroxy-piperodine derivatives HOFFMANN-LA ROCHE INC. (US) 1999-03-30 US disclosed