SCHEMBL14044441

SCHEMBL14044441

CCC(CCN1c2ccccc2Oc2cc(C=O)ccc21)N(C)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
P2RX4 Q99571 4/20 0.35
SMPD1 P17405 2/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD1 P21728 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A4 P31645 1/20 0.32
DRD3 P35462 1/20 0.32
P2RX1 P51575 1/20 0.32

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
SCHEMBL13847146 0.82 P2RX4 (0.39) PIM1MEN1KMT2ATDP1SIGMAR1
SCHEMBL13413114 0.81 PIM1 (0.40) PIM1MEN1KMT2ATDP1SIGMAR1
SCHEMBL14044516 0.78 PIM1 (0.37) PIM1MEN1KMT2ATDP1SIGMAR1
SCHEMBL4633656 0.78 SLC1A3 (0.45) PIM1MEN1KMT2ATDP1P2RX4
SCHEMBL8711483 0.76 ALDH1A1 (0.43) MEN1KMT2ATDP1P2RX4KDM4E
SCHEMBL13529112 0.75 PIM1 (0.36) PIM1MEN1KMT2ATDP1SIGMAR1
SCHEMBL13529117 0.75 SIGMAR1 (0.45) MEN1KMT2ASIGMAR1SMPD1ALDH1A1
SCHEMBL13529109 0.75 RAB9A (0.40) KMT2AALDH1A1SMN1; SMN2
SCHEMBL29773798 0.70 ALDH1A1 (0.41) MEN1KMT2ATDP1SLC1A3SLC1A2
SCHEMBL8185089 0.70 ALDH1A1 (0.41) MEN1KMT2ATDP1SLC1A3SLC1A2

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-7439239-B2 Tricyclic δ- opioid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-10-21 US disclosed