SCHEMBL28108406

SCHEMBL28108406

Nc1cccc2ccc(Cc3cccnc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.47
MPO P05164 1/20 0.41
CHRNA7 P36544 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PNP P00491 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 1/20 0.39
PDE4B Q07343 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL30996052 0.77 PDE10A (0.44) PDE10AMPOCYP3A4PNP
SCHEMBL28043557 0.76 CHRNA7 (0.46) MPOCHRNA7CYP1A2CYP2D6HRH4
SCHEMBL30996042 0.76 PDE10A (0.43) PDE10ALMNAKMT2A
SCHEMBL30996039 0.76 HSP90AB1 (0.47) PDE10AMPOLMNACYP1A2CYP3A4
SCHEMBL30996051 0.76 TLR7 (0.43) PDE10AMPOKMT2A
SCHEMBL30996049 0.75 PDE10A (0.45) PDE10AMPOPDE4B
SCHEMBL29694385 0.73 PDE10A (0.46) PDE10ALMNACYP3A4CYP2D6PNP
SCHEMBL30996048 0.72 PDE10A (0.52) PDE10AMPOLMNACYP2D6
SCHEMBL30996041 0.72 TLR8 (0.46) PDE10AKMT2A
SCHEMBL27835947 0.72 PDE10A (0.44) PDE10ACYP3A4

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
CN-102083438-B The quinoline of conditioning agent and related analogs as silent message regulatory factor 西特里斯药业公司 2016-11-09 CN disclosed