SCHEMBL8911947

SCHEMBL8911947

Nc1ncccc1C(=O)NCCC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
APOB P04114 1/20 0.36
MTTP P55157 1/20 0.36
ADORA2A P29274 1/20 0.35
TYRO3 Q06418 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
HDAC3 O15379 4/20 0.34
HDAC4 P56524 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC7 Q8WUI4 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC10 Q969S8 4/20 0.34
HDAC11 Q96DB2 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC6 Q9UBN7 4/20 0.34
HDAC9 Q9UKV0 4/20 0.34
HDAC5 Q9UQL6 4/20 0.34
PRKCI P41743 2/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL8912624 0.90 P2RX7 (0.40) P2RX7APOBMTTPTYRO3CHRM1
SCHEMBL8912491 0.82 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8911327 0.82 P2RX7 (0.39) P2RX7APOBMTTPHDAC3HDAC4
SCHEMBL8911348 0.78 PDE3B (0.39) P2RX7PDE3BPDE3ASLC6A2SLC6A4
SCHEMBL8912358 0.75 PDE3B (0.38) P2RX7PDE3BPDE3ASLC6A2SLC6A4
SCHEMBL8292401 0.74 GRIA2 (0.41) HDAC8PDE3BPDE3A
SCHEMBL8911950 0.74 PDE3B (0.35) PDE3BPDE3ASLC6A2SLC6A4SLC6A3
Bromide SCHEMBL8300626 0.73 PDE3B (0.43) P2RX7PDE3BPDE3ASLC6A2SLC6A4
SCHEMBL8292411 0.73 PDE3B (0.42) P2RX7PDE3BPDE3ASLC6A2SLC6A4
SCHEMBL8912991 0.73 ALDH1A1 (0.41) P2RX7HDAC3HDAC4HDAC1HDAC7

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 claimed
US-5543409-A Indane derivatives for treating endotoxin shock and/or nephritis TANABE SEIYAKU CO., LTD. (JP) 1996-08-06 US claimed
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 claimed