SCHEMBL14580657

SCHEMBL14580657

c1ccc(-c2ccc3c(c2)C2(CCCC2)c2ccccc2-3)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.57
NPY5R Q15761 1/20 0.45
HSD11B1 P28845 2/20 0.43
NR1I2 O75469 1/20 0.43
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE3A Q14432 1/20 0.41
CNR2 P34972 1/20 0.40
P2RX7 Q99572 1/20 0.40
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 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
SCHEMBL14580668 0.87 PDK2 (0.42) PDK2NPY5RHSD11B1NR1I2PGR
SCHEMBL14580656 0.85 PDK2 (0.43) PDK2PGR
SCHEMBL15977673 0.84 PDK2 (0.43) PDK2NPY5RHSD11B1NR1I2PDE5A
SCHEMBL15977814 0.84 PDK2 (0.43) PDK2NPY5RHSD11B1NR1I2PDE5A
SCHEMBL14580658 0.84 PDK2 (0.56) PDK2NPY5RHSD11B1NR1I2CNR2
SCHEMBL15977594 0.83 PDK2 (0.42) PDK2NPY5RHSD11B1NR1I2PDE5A
SCHEMBL12133807 0.83 KDM4E (0.50) PDK2NPY5RHSD11B1NR1I2PDE5A
SCHEMBL19055690 0.82 PDK2 (0.42) PDK2NPY5RPGR
SCHEMBL14580667 0.82 KMT2A (0.42) PDK2NPY5RKDM4ECYP1A2POLB
SCHEMBL15977933 0.82 PDK2 (0.43) PDK2NPY5RHSD11B1NR1I2PDE5A

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
US-20070042220-A1 Compound having spiro bond, material for luminescent coating formation and organic electroluminescence element including the same IDEMITSU KOSAN CO., LTD. (JP) 2007-02-22 US disclosed
US-20070042220-A1 Compound having spiro bond, material for luminescent coating formation and organic electroluminescence element including the same IDEMITSU KOSAN CO., LTD. (JP) 2007-02-22 US disclosed