SCHEMBL27675181

SCHEMBL27675181

COc1cc(OC2CCCC2)c(N)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
NPC1 O15118 1/20 0.49
CSNK2A1 P68400 2/20 0.48
PDE4A P27815 8/20 0.42
PDE4D Q08499 8/20 0.42
PDE4B Q07343 7/20 0.42
PDE4C Q08493 7/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL27655269 0.81 PDE4A (0.42) GAAPDE4APDE4DPDE4BPDE4C
SCHEMBL2910790 0.81 NPC1 (0.53) NPC1CSNK2A1PDE4APDE4DPDE4B
SCHEMBL92047 0.78 GAA (1.00) GAANPC1TSHRMEN1KMT2A
SCHEMBL5951825 0.72 GAA (0.78) GAANPC1TSHRMAPT
SCHEMBL2910658 0.72 KMT2A (0.48) GAAPDE4APDE4DPDE4BPDE4C
SCHEMBL27368676 0.72 ALDH1A1 (0.58) PDE4APDE4DPDE4BPDE4CTSHR
SCHEMBL24928857 0.72 CSNK2A1 (0.42) CSNK2A1MEN1KMT2AMAPTLMNA
SCHEMBL7683050 0.72 CSNK2A1 (0.49) NPC1CSNK2A1
SCHEMBL30845563 0.72 CSNK2A1 (0.42) CSNK2A1MEN1KMT2AMAPTLMNA
SCHEMBL24928888 0.72 CSNK2A1 (0.42) CSNK2A1PDE4DPDE4B

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-1922144-A Phosphodiesterase 4 inhibitors, including n-substituted diarylamine analogs MEMORY PHARM CORP (US) 2007-02-28 CN disclosed