SCHEMBL30664064

SCHEMBL30664064

CCCCCCCC(C)c1cccnn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.40
GPR84 Q9NQS5 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CSNK1E P49674 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL19308338 1.00 FAAH (0.40) FAAHGPR84TDP1L3MBTL1KCNH2
SCHEMBL22647103 0.98 FAAH (0.38) FAAHGPR84TDP1L3MBTL1KCNH2
SCHEMBL23750446 0.93 FAAH (0.35) FAAHTDP1L3MBTL1KCNH2
SCHEMBL13848610 0.86 FAAH (0.34) FAAHKCNH2
SCHEMBL20442236 0.85 FAAH (0.40) FAAHTDP1L3MBTL1KCNH2LMNA
SCHEMBL21661962 0.85 FAAH (0.40) FAAHTDP1L3MBTL1KCNH2LMNA
SCHEMBL22308327 0.83 FAAH (0.40) FAAHTDP1L3MBTL1KCNH2LMNA
SCHEMBL26078437 0.82 FAAH (0.39) FAAHTDP1L3MBTL1KCNH2LMNA
SCHEMBL21360381 0.82 NR1I2 (0.40) FAAHTDP1L3MBTL1KCNH2LMNA
SCHEMBL22460414 0.78 TSHR (0.36) TDP1L3MBTL1KCNH2ALDH1A1MEN1

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-116924976-A Diaryl heterocyclic amine compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-10-24 CN disclosed