SCHEMBL7562294

SCHEMBL7562294

CCCCc1cc(COOC(=O)N2CCC(c3ccc(F)cc3)CC2)cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.40
NAMPT P43490 2/20 0.38
MCHR1 Q99705 2/20 0.37
CHRM4 P08173 1/20 0.37
TRPC3 Q13507 1/20 0.37
TRPC7 Q9HCX4 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CCR1 P32246 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
TACR1 P25103 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL7562291 0.79 ESR1 (0.36) SIGMAR1ESR1ESR2ALDH1A1GAA
SCHEMBL6042429 0.77 REN (0.36) ESR1ESR2TACR1
SCHEMBL7566408 0.67 DRD4 (0.42) FAAHMCHR1CHRM4CCR1ALDH1A1
SCHEMBL7562673 0.66 FAAH (0.46) FAAHMCHR1CCR1ALDH1A1GAA
SCHEMBL7745919 0.65 FAAH (0.55) FAAHNAMPTCCR1ALDH1A1GAA
SCHEMBL27279895 0.65 TLR8 (0.45) ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6042262 0.64 FAAH (0.43) FAAHMCHR1CHRM4TRPC3TRPC7
SCHEMBL16492726 0.64 NAMPT (0.54) NAMPTGAAMAPTSMN1; SMN2
SCHEMBL8922008 0.63 CHRM4 (0.59) CHRM4ALDH1A1GAAMAPTRAB9A
SCHEMBL6042950 0.62 CCR1 (0.44) FAAHMCHR1CHRM4CCR1ALDH1A1

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
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed