SCHEMBL8914447

SCHEMBL8914447

C=CCNC(=O)NCC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
CDK8 P49336 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
AURKB Q96GD4 1/20 0.36
PDE3B Q13370 5/20 0.36
PDE3A Q14432 5/20 0.36
KDR P35968 2/20 0.36
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 2/20 0.33

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
SCHEMBL8912269 0.81 PDE3B (0.39) P2RX7JAK2NTRK1RETPDGFRB
SCHEMBL8912821 0.80 PDE3B (0.40) P2RX7PDE3BPDE3APDE4APDE4B
SCHEMBL8911348 0.79 PDE3B (0.39) P2RX7JAK2NTRK1RETPDGFRB
SCHEMBL8291735 0.78 PDE3B (0.40) P2RX7PDE3BPDE3APDE4APDE4B
SCHEMBL8912661 0.77 PDE3B (0.38) P2RX7JAK2NTRK1RETPDGFRB
SCHEMBL8296106 0.77 PDE3B (0.43) P2RX7PDE3BPDE3APDE4APDE4B
SCHEMBL8914142 0.77 PDE3B (0.37) P2RX7JAK2NTRK1RETPDGFRB
Bromide SCHEMBL8291044 0.76 PDE3B (0.42) P2RX7PDE3BPDE3APDE4APDE4B
SCHEMBL8912991 0.76 ALDH1A1 (0.41) P2RX7MEN1KMT2ACYP1A2HPGD
SCHEMBL8912452 0.75 PDE3B (0.43) P2RX7JAK2NTRK1RETPDGFRB

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
US-5605901-A THERAPY FOR GRAM-NEGATIVE BACTERIA, NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-02-25 US disclosed
US-5543409-A Indane derivatives for treating endotoxin shock and/or nephritis TANABE SEIYAKU CO., LTD. (JP) 1996-08-06 US disclosed
EP-0661274-A1 Indane derivatives, processes for preparing the same and synthetic intermediate of the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP disclosed